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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/11/1531105.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_1531105
loop_
_publ_author_name
'Babizhet'sky, V.S.'
'Lomnitskaya, Ya.F.'
_publ_section_title
;
 Ordered atomic distribution in the structure of Ti Cr P
;
_journal_name_full               'Neorganicheskie Materialy'
_journal_page_first              1077
_journal_page_last               1078
_journal_volume                  38
_journal_year                    2002
_chemical_formula_sum            'Cr P Ti'
_chemical_name_systematic        'Ti Cr P'
_space_group_IT_number           189
_symmetry_space_group_name_Hall  'P -6 -2'
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.3998
_cell_length_b                   6.3998
_cell_length_c                   3.2896
_cell_volume                     116.683
_citation_journal_id_ASTM        NMATEI
_cod_data_source_file            Babizhetsky_NMATEI_2002_1734.cif
_cod_data_source_block           Cr1P1Ti1
_cod_original_cell_volume        116.6827
_cod_original_formula_sum        'Cr1 P1 Ti1'
_cod_database_code               1531105
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+y,-x,-z
-y,x-y,z
x,y,-z
-x+y,-x,z
-y,x-y,-z
y,x,z
x-y,-y,-z
-x,-x+y,z
y,x,-z
x-y,-y,z
-x,-x+y,-z
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
Cr1 Cr 0.2536 0 0 1 0.0
P2 P 0.3333 0.6667 0 1 0.0
Ti1 Ti 0.5937 0 0.5 1 0.0
P1 P 0 0 0.5 1 0.0
