data_[V20As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.3822]
_cell_length_b [7.5122]
_cell_length_c [6.4552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [V5As3]
_chemical_formula_sum '[V20 As12]'
_cell_volume [454.9668]
_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
[
  V  V0  8  0.0766  0.5598  0.2064  1
  V  V1  4  0.0096  0.7500  0.5287  1
  V  V2  4  0.2243  0.2500  0.8493  1
  V  V3  4  0.2476  0.7500  0.8018  1
  As  As4  8  0.1714  0.0156  0.5745  1
  As  As5  4  0.0119  0.2500  0.0818  1
]