data_[V12As10]
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 [P6mm]
_cell_length_a [8.6613]
_cell_length_b [8.6613]
_cell_length_c [18.7806]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [V6As5]
_chemical_formula_sum '[V12 As10]'
_cell_volume [1220.1216]
_cell_formula_units_Z [2]
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  0.1654  0.3307  0.5399  1
  V  V1  3  0.0000  0.5000  0.4606  1
  V  V2  2  0.3333  0.6667  0.5225  1
  V  V3  1  0.0000  0.0000  0.6120  1
  As  As4  6  0.2205  0.4411  0.4107  1
  As  As5  3  0.0000  0.5000  0.5922  1
  As  As6  1  0.0000  0.0000  0.4804  1
]