data_[Nb4P8]
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 [C2/m]
_cell_length_a [8.9129]
_cell_length_b [3.2925]
_cell_length_c [7.5664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.9943]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NbP2]
_chemical_formula_sum '[Nb4 P8]'
_cell_volume [194.2146]
_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  0.1604  0.0000  0.2006  1.0
  P  P1  4  0.0956  0.5000  0.8983  1.0
  P  P2  4  0.1334  0.0000  0.5261  1.0
]