data_[Ni12P12]
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 [Cmc2_1]
_cell_length_a [10.1624]
_cell_length_b [5.9136]
_cell_length_c [4.9695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NiP]
_chemical_formula_sum '[Ni12 P12]'
_cell_volume [298.6496]
_cell_formula_units_Z [12]
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  0.1466  0.4439  0.6145  1.0
  Ni  Ni1  4  0.0000  0.0537  0.6427  1.0
  P  P2  8  0.1608  0.1861  0.9491  1.0
  P  P3  4  0.0000  0.3117  0.3015  1.0
]