data_[V6As6]
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 [P1]
_cell_length_a [4.3548]
_cell_length_b [18.7973]
_cell_length_c [18.7973]
_cell_angle_alpha [120.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [VAs]
_chemical_formula_sum '[V6 As6]'
_cell_volume [1332.5642]
_cell_formula_units_Z [6]
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  1  0.0974  0.0895  0.4800  1
  V  V1  1  0.3288  0.9849  0.5489  1
  V  V2  1  0.5176  0.0908  0.3814  1
  V  V3  1  0.6595  0.0014  0.4308  1
  V  V4  1  0.8124  0.8911  0.4867  1
  V  V5  1  0.8377  0.9416  0.6161  1
  As  As6  1  0.0126  0.0422  0.3290  1
  As  As7  1  0.1773  0.9260  0.3986  1
  As  As8  1  0.3206  0.8428  0.5347  1
  As  As9  1  0.3370  0.9632  0.6811  1
  As  As10  1  0.5805  0.1661  0.5274  1
  As  As11  1  0.8269  0.0605  0.5854  1
]