#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/70/1537057.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_1537057
loop_
_publ_author_name
'Fokwa, B.P.T.'
'Soehnel, T.'
'Simon, P.'
'Doert, T.'
'Boettcher, P.'
_publ_section_title
;
 Pr Se Te2, ein geordnetes ternaeres Polychalkogenid mit (Nd Te3) -
 Struktur
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2612
_journal_page_last               2616
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'Pr Se Te2'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.261
_cell_length_b                   25.06
_cell_length_c                   4.26
_cell_volume                     454.886
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Fokwa_ZAACAB_2002_631.cif
_cod_data_source_block           Pr1Se1Te2
_cod_original_cell_volume        454.8857
_cod_original_formula_sum        'Pr1 Se1 Te2'
_cod_database_code               1537057
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-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
-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
Te2 Te 0 0.57264 0.25 1 0.0
Te1 Te 0 -0.07251 0.25 1 0.0
Pr1 Pr+3 0 0.177203 0.25 1 0.0
Se1 Se-2 0 0.29636 0.25 1 0.0
