data_[Ni8Mo16P8]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3337]
_cell_length_b [8.5121]
_cell_length_c [4.7880]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5507]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NiMo2P]
_chemical_formula_sum '[Ni8 Mo16 P8]'
_cell_volume [423.4438]
_cell_formula_units_Z [8]
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  8  0.1601  0.1488  0.9073  1.0
  Mo  Mo1  4  0.0000  0.3392  0.5000  1.0
  Mo  Mo2  4  0.0788  0.0000  0.3549  1.0
  Mo  Mo3  4  0.1339  0.5000  0.1276  1.0
  Mo  Mo4  4  0.2500  0.2500  0.5000  1.0
  P  P5  4  0.0000  0.2467  0.0000  1.0
  P  P6  4  0.2034  0.5000  0.7050  1.0
]