data_2310258
_publ_section_title
;
 The crystal structure of Nb Zn2
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              1289
_journal_page_last               1290
_journal_volume                  14
_journal_year                    1961
_chemical_formula_sum            'Nb Zn2'
_chemical_name_systematic        'Nb Zn2'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            8
_cell_length_a                   5.05
_cell_length_b                   5.05
_cell_length_c                   16.32
_cell_volume                     360.440
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Vold_ACCRA9_1961_1420.cif
_cod_data_source_block           Nb1Zn2
_cod_original_cell_volume        360.4405
_cod_chemical_formula_sum_orig   'Nb1 Zn2'
_cod_database_code               2310258
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+1/2
x-y,-y,-z
x,x-y,-z+1/2
y,x,-z
-x+y,y,-z+1/2
-x,-x+y,-z
-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-1/2
-x+y,y,z
-x,-x+y,z-1/2
-y,-x,z
x-y,-y,z-1/2
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
Zn2 Zn 0.5 0 0 1 0.0
Zn1 Zn 0.3333 0.6667 0.122 1 0.0
Nb1 Nb 0 0 0.092 1 0.0
Zn3 Zn 0.1717 0.3434 0.25 1 0.0
Nb2 Nb 0.3333 0.6667 0.8408 1 0.0
