data_V3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.11
_cell_angle_alpha   114.05
_cell_angle_beta   114.05
_cell_angle_gamma   39.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V3As
_chemical_formula_sum   'V3 As1'
_cell_volume   53.88
_cell_formula_units_Z   1
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  V1  1  0.0  0.0  0.0  1.0
  V  V2  1  0.26  0.0  0.9  1.0
  V  V3  1  1.0  0.0  0.8  1.0
  As  As0  1  0.63  0.0  0.85  1.0

data_V3As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.11
_cell_length_c   4.8
_cell_angle_alpha   114.05
_cell_angle_beta   109.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V3As
_chemical_formula_sum   'V3 As1'
_cell_volume   53.88
_cell_formula_units_Z   1
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  0.0  0.0  0.0  1.0
  V  V1  1  0.0  0.8  1.0  1.0
  V  V2  1  0.0  0.9  0.26  1.0
  As  As3  1  0.0  0.85  0.63  1.0

V V V As
V V V As 0 2 - o - 0 3 - o - 1 2 - o o 1 3 o o o 2 3 o o o 