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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/03/12/4031203.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_4031203
loop_
_publ_author_name
'Lomnitskaya, Ya.F.'
_publ_section_title
;
 The crystal structures of Zr Cu2 P2 and Hf Cu2 P2
;
_journal_name_full
;
Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)
;
_journal_page_first              40
_journal_page_last               41
_journal_volume                  31
_journal_year                    1986
_chemical_formula_sum            'Cu Hf P'
_chemical_name_systematic        '(Cu2 Hf P2)0.5'
_space_group_IT_number           156
_symmetry_space_group_name_Hall  'P 3 -2"'
_symmetry_space_group_name_H-M   'P 3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.799
_cell_length_b                   3.799
_cell_length_c                   6.16
_cell_volume                     76.993
_citation_journal_id_ASTM        RJICAQ
_cod_data_source_file            Lomnitskaya_RJICAQ_1986_104.cif
_cod_data_source_block           Cu1Hf1P1
_cod_original_cell_volume        76.99277
_cod_original_formula_sum        'Cu1 Hf1 P1'
_cod_database_code               4031203
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-y,-x,z
x,x-y,z
-x+y,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
P1 P 0.3333 0.6667 0.226 1 0.0
Cu1 Cu 0.3333 0.6667 0.631 1 0.0
Hf1 Hf 0 0 0 1 0.0
