data_4002358
_publ_section_title
;
 Chemistry in polar intermetallic compounds. The interstitial chemistry of
 Zr5 Sr3
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              1348
_journal_page_last               1355
_journal_volume                  4
_journal_year                    1992
_chemical_formula_sum            'Ga Sn3 Zr5'
_chemical_name_systematic        'Ga Sn3 Zr5'
_space_group_IT_number           193
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   8.6599
_cell_length_b                   8.6599
_cell_length_c                   5.8794
_cell_volume                     381.847
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            KwonYoung-Uk_CMATEX_1992_530.cif
_cod_data_source_block           Ga1Sn3Zr5
_cod_chemical_formula_sum_orig   'Ga1 Sn3 Zr5'
_cod_database_code               4002358
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z
x-y,-y,-z+1/2
x,x-y,-z
y,x,-z+1/2
-x+y,y,-z
-x,-x+y,-z+1/2
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
y,x,z
-x+y,y,z-1/2
-x,-x+y,z
-y,-x,z-1/2
x-y,-y,z
x,x-y,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
Zr1 Zr 0.3333 0.6667 0 1 0.0
Sn1 Sn 0.6117 0 0.25 1 0.0
Ga1 Ga 0 0 0 1 0.0
Zr2 Zr 0.2764 0 0.25 1 0.0
