data_[Ni8Mo4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3485]
_cell_length_b [2.6198]
_cell_length_c [6.4721]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4328]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ni2Mo]
_chemical_formula_sum '[Ni8 Mo4]'
_cell_volume [149.4805]
_cell_formula_units_Z [4]
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  4  0.0375  0.0000  0.2645  1
  Ni  Ni1  4  0.1472  0.5000  0.0323  1
  Mo  Mo2  4  0.1706  0.5000  0.6319  1
]