# generated using pymatgen
data_Ni3Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23163948
_cell_length_b   5.03430440
_cell_length_c   4.45938583
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3Mo
_chemical_formula_sum   'Ni6 Mo2'
_cell_volume   94.99990730
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ni  Ni0  1  0.50000000  0.16028300  0.75151600  1
  Ni  Ni1  1  0.00000000  0.83971700  0.74848400  1
  Ni  Ni2  1  0.50000000  0.66640700  0.00000000  1
  Ni  Ni3  1  0.00000000  0.33359300  0.50000000  1
  Ni  Ni4  1  0.00000000  0.83971700  0.25151600  1
  Ni  Ni5  1  0.50000000  0.16028300  0.24848400  1
  Mo  Mo6  1  0.50000000  0.65551400  0.50000000  1
  Mo  Mo7  1  0.00000000  0.34448600  0.00000000  1
