data_[V12P7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P-6]
_cell_length_a [9.3159]
_cell_length_b [9.3159]
_cell_length_c [3.2317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [174]
_chemical_formula_structural [V12P7]
_chemical_formula_sum '[V12 P7]'
_cell_volume [242.8886]
_cell_formula_units_Z [1]
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
[
  V  V0  3  0.0460  0.2007  0.0000  1.0
  V  V1  3  0.1699  0.7064  0.5000  1.0
  V  V2  3  0.4147  0.0676  0.5000  1.0
  V  V3  3  0.4634  0.3285  0.0000  1.0
  P  P4  3  0.1295  0.5041  0.0000  1.0
  P  P5  3  0.2245  0.1749  0.5000  1.0
  P  P6  1  0.6667  0.3333  0.5000  1.0
]