data_V3In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   151.06
_cell_angle_beta   63.62
_cell_angle_gamma   124.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V3In
_chemical_formula_sum   'V3 In1'
_cell_volume   62.05
_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  0.58  1.0
  V  V2  1  0.35  0.72  0.61  1.0
  V  V3  1  0.35  0.28  0.61  1.0
  In  In0  1  0.35  0.0  0.05  1.0

data_V3In
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   5.01
_cell_length_c   5.4
_cell_angle_alpha   117.65
_cell_angle_beta   104.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V3In
_chemical_formula_sum   'V3 In1'
_cell_volume   62.05
_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  0.58  0.58  0.58  1.0
  V  V1  1  0.61  0.33  0.68  1.0
  V  V2  1  0.61  0.88  0.23  1.0
  In  In3  1  0.05  0.05  0.4  1.0

V V V In
V V V In 0 2 o o o 1 3 o + + 2 3 o o o 