#------------------------------------------------------------------------------
#$Date: 2015-07-07 13:20:30 +0200 (Tue, 07 Jul 2015) $
#$Revision: 140680 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/10/1521049.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_1521049
loop_
_publ_author_name
'Frik, L.'
'Mewis, A.'
_publ_section_title
;
 Stapelvarianten aus Sr Pt Sb - und Ca Al2 Si2 - analogen Baubloecken
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              126
_journal_page_last               130
_journal_volume                  625
_journal_year                    1999
_chemical_formula_sum            'Ca3 Cu2 P4 Zn2'
_chemical_name_systematic        'Ca3 Cu2 Zn2 P4'
_space_group_IT_number           164
_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                   4.034
_cell_length_b                   4.034
_cell_length_c                   14.604
_cell_volume                     205.814
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Frik_ZAACAB_1999_792.cif
_cod_data_source_block           Ca3Cu2P4Zn2
_cod_original_cell_volume        205.8137
_cod_database_code               1521049
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
-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
Cu1 Cu+1 0.3333 0.6667 0.1353 1 0.0
Ca1 Ca+2 0 0 0 1 0.0
Zn1 Zn+2 0.3333 0.6667 0.5615 1 0.0
P1 P-3 0.3333 0.6667 0.8668 1 0.0
Ca2 Ca+2 0 0 0.2697 1 0.0
P2 P-3 0.3333 0.6667 0.3883 1 0.0
