data_VAs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   4.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VAs3
_chemical_formula_sum   'V2 As6'
_cell_volume   144.8
_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  V6  1  0.0  0.41  0.2  1.0
  V  V7  1  0.96  0.71  0.59  1.0
  As  As0  1  0.0  0.89  0.59  1.0
  As  As1  1  0.32  0.18  0.59  1.0
  As  As2  1  0.68  0.18  0.59  1.0
  As  As3  1  0.96  0.23  0.2  1.0
  As  As4  1  0.63  0.94  0.2  1.0
  As  As5  1  0.28  0.94  0.2  1.0

data_VAs3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.78
_cell_length_b   5.91
_cell_length_c   5.91
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   VAs3
_chemical_formula_sum   'V2 As6'
_cell_volume   144.8
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.2  0.48  0.65  1.0
  As  As1  2  0.2  0.2  0.12  1.0
  As  As2  2  0.2  0.52  0.83  1.0
  As  As3  2  0.2  0.84  0.12  1.0

V V As As As As As As
V V As As As As As As 0 5 - o o 0 4 - o o 1 2 + o o 1 7 + o o 2 3 o + o 2 7 o o o 3 7 o - o 3 4 o o o 4 6 o - o 4 5 o o o 5 6 o - o 6 7 o o o 