data_[Nb12P8]
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 [Pnma]
_cell_length_a [9.7830]
_cell_length_b [3.4430]
_cell_length_c [9.5781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Nb3P2]
_chemical_formula_sum '[Nb12 P8]'
_cell_volume [322.6160]
_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
[
  Nb  Nb0  4  0.0537  0.2500  0.8752  1.0
  Nb  Nb1  4  0.1179  0.7500  0.4288  1.0
  Nb  Nb2  4  0.2062  0.2500  0.2023  1.0
  P  P3  4  0.0408  0.7500  0.6771  1.0
  P  P4  4  0.1997  0.7500  0.0053  1.0
]