data_[Ni8P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.5661]
_cell_length_b [13.9361]
_cell_length_c [4.2699]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5571]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ni2P3]
_chemical_formula_sum '[Ni8 P12]'
_cell_volume [298.8067]
_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  0.0000  0.0950  0.0000  1
  Ni  Ni1  4  0.2500  0.2500  0.5000  1
  P  P2  8  0.2049  0.3763  0.2005  1
  P  P3  4  0.2149  0.5000  0.5448  1
]