data_[Nb6P2]
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 [P2_1/m]
_cell_length_a [6.1177]
_cell_length_b [3.4477]
_cell_length_c [6.6948]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0156]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nb3P]
_chemical_formula_sum '[Nb6 P2]'
_cell_volume [137.5771]
_cell_formula_units_Z [2]
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  2  0.0822  0.2500  0.8602  1
  Nb  Nb1  2  0.2511  0.2500  0.4226  1
  Nb  Nb2  2  0.3991  0.7500  0.1229  1
  P  P3  2  0.3069  0.7500  0.7060  1
]