data_[Ni24P8]
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 [I-4]
_cell_length_a [8.9229]
_cell_length_b [8.9229]
_cell_length_c [4.3771]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Ni3P]
_chemical_formula_sum '[Ni24 P8]'
_cell_volume [348.4944]
_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  0.0324  0.6349  0.0238  1.0
  Ni  Ni1  8  0.0776  0.1122  0.2415  1.0
  Ni  Ni2  8  0.1681  0.2204  0.7535  1.0
  P  P3  8  0.0483  0.7143  0.5193  1.0
]