data_1522820
_publ_section_title
;
 The crystal structure of Mo Ni3
;
_journal_name_full
'Transactions of the Metallurgical Society of Aime'
_journal_page_first              938
_journal_page_last               941
_journal_volume                  215
_journal_year                    1959
_chemical_formula_sum            'Mo Ni3'
_chemical_name_systematic        'Mo Ni3'
_space_group_IT_number           59
_symmetry_space_group_name_Hall  'P 2 2ab -1ab'
_symmetry_space_group_name_H-M   'P m m n :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.064
_cell_length_b                   4.228
_cell_length_c                   4.448
_cell_volume                     95.234
_citation_journal_id_ASTM        TMSAAB
_cod_data_source_file            Saito_TMSAAB_1959_1230.cif
_cod_data_source_block           Mo1Ni3
_cod_cif_authors_sg_Hall         '-P 2ab 2a (x-1/4,y-1/4,z)'
_cod_original_cell_volume        95.23432
_cod_chemical_formula_sum_orig   'Mo1 Ni3'
_cod_database_code               1522820
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z
-x,y,z
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
Ni2 Ni 0.25 0 0.157 1 0.0
Ni1 Ni 0 0.5 0.343 1 0.0
Mo1 Mo 0 0 0.657 1 0.0
