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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/68/1536814.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_1536814
loop_
_publ_author_name
'Fahy, S.'
'Hamann, D.R.'
_publ_section_title
;
 Electronic and structural properties of Ca Si2
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              7587
_journal_page_last               7592
_journal_volume                  41
_journal_year                    1990
_chemical_formula_sum            'Ca Si2'
_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                   3.85
_cell_length_b                   3.85
_cell_length_c                   5.2
_cell_volume                     66.751
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Fahy_PRBMDO_1990_1817.cif
_cod_data_source_block           Ca1Si2
_cod_original_cell_volume        66.75063
_cod_original_formula_sum        'Ca1 Si2'
_cod_database_code               1536814
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
Ca1 Ca+2 0 0 0 1 0.0
Si1 Si-1 0.3333 0.6667 0.4 1 0.0