# generated using pymatgen
data_Ni4Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72514589
_cell_length_b   5.72514589
_cell_length_c   3.55903356
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni4Mo
_chemical_formula_sum   'Ni8 Mo2'
_cell_volume   116.65549455
_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  0.40064300  0.80106000  0.00000000  1
  Ni  Ni1  1  0.59935700  0.19894000  0.00000000  1
  Ni  Ni2  1  0.30106000  0.09935700  0.50000000  1
  Ni  Ni3  1  0.69894000  0.90064300  0.50000000  1
  Ni  Ni4  1  0.90064300  0.30106000  0.50000000  1
  Ni  Ni5  1  0.09935700  0.69894000  0.50000000  1
  Ni  Ni6  1  0.80106000  0.59935700  0.00000000  1
  Ni  Ni7  1  0.19894000  0.40064300  0.00000000  1
  Mo  Mo8  1  0.00000000  0.00000000  0.00000000  1
  Mo  Mo9  1  0.50000000  0.50000000  0.50000000  1
