data_[Nb24P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [10.2220]
_cell_length_b [10.2220]
_cell_length_c [5.1048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Nb3P]
_chemical_formula_sum '[Nb24 P8]'
_cell_volume [533.3948]
_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
[
  Nb  Nb0  8  0.0195  0.3578  0.0175  1.0
  Nb  Nb1  8  0.0838  0.9001  0.2434  1.0
  Nb  Nb2  8  0.1859  0.7827  0.7440  1.0
  P  P3  8  0.0327  0.2932  0.5181  1.0
]