data_[V11As11]
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 [P31m]
_cell_length_a [9.8446]
_cell_length_b [9.8446]
_cell_length_c [20.5739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [VAs]
_chemical_formula_sum '[V11 As11]'
_cell_volume [1726.7889]
_cell_formula_units_Z [11]
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  6  0.1650  0.5851  0.5578  1
  V  V1  3  0.0000  0.4767  0.4619  1
  V  V2  2  0.3333  0.6667  0.4416  1
  As  As3  6  0.1888  0.8016  0.4867  1
  As  As4  3  0.0000  0.6513  0.3845  1
  As  As5  2  0.3333  0.6667  0.6554  1
]