data_[Nb8V24P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.7090]
_cell_length_b [10.4158]
_cell_length_c [6.0347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0192]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NbV3P]
_chemical_formula_sum '[Nb8 V24 P8]'
_cell_volume [604.3059]
_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  0.1257  0.3110  0.1222  1
  V  V1  8  0.1148  0.0627  0.9275  1
  V  V2  8  0.1638  0.1812  0.5567  1
  V  V3  8  0.1767  0.4415  0.7059  1
  P  P4  4  0.0000  0.1166  0.2500  1
  P  P5  4  0.0000  0.2768  0.7500  1
]