#------------------------------------------------------------------------------
#$Date: 2016-01-03 13:16:29 +0100 (Sun 03 de Jan de 2016) $
#$Revision: 173342 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/18/1541820.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1541820
loop_
_publ_author_name
'Brec, R.'
'Grenouilleau, P.'
'Evain, M.'
'Rouxel, J.'
_publ_section_title
;
 Synthesis and structural determination of a new two-dimensional compound:
 P2 Nb4 S21
;
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              283
_journal_page_last               294
_journal_volume                  20
_journal_year                    1983
_chemical_formula_sum            'Nb4 P2 S21'
_chemical_name_systematic        'P2 Nb4 S21'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.3
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   26.055
_cell_length_b                   7.5046
_cell_length_c                   13.017
_cell_volume                     2476.978
_citation_journal_id_ASTM        RVCMA8
_cod_data_source_file            Brec_RVCMA8_1983_1781.cif
_cod_data_source_block           Nb4P2S21
_cod_database_code               1541820
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
S9 S 0.07187 0.6475 0.5435 1 0.0
Nb2 Nb 0.14197 0.5632 0.72013 1 0.0
S6 S 0.07252 0.3696 0.7667 1 0.0
S11 S 0.99732 0.9995 0.0977 0.505 0.0
S4 S 0.07119 0.6254 0.8212 1 0.0
S3 S 0.2116 0.6339 0.8775 1 0.0
S8 S 0.15935 0.3401 0.5827 1 0.0
S1 S 0.15145 0.0959 0.9479 1 0.0
S10 S 0.05347 0.1034 0.5313 1 0.0
S5 S 0.21232 0.3768 0.8317 1 0.0
P1 P 0.10862 0.892 0.5597 1 0.0
S7 S 0.21073 0.5512 0.604 1 0.0
S2 S 0.14766 0.9085 0.7101 1 0.0
Nb1 Nb 0.14237 0.4396 0.92905 1 0.0
