data_VIn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   5.14
_cell_length_c   6.0
_cell_angle_alpha   90.0
_cell_angle_beta   100.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VIn3
_chemical_formula_sum   'V1 In3'
_cell_volume   96.45
_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  V3  1  0.0  0.0  0.0  1.0
  In  In0  1  1.0  0.57  0.44  1.0
  In  In1  1  0.06  0.0  0.95  1.0
  In  In2  1  0.12  0.57  0.47  1.0

data_VIn3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   5.14
_cell_length_c   6.0
_cell_angle_alpha   90.0
_cell_angle_beta   100.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VIn3
_chemical_formula_sum   'V1 In3'
_cell_volume   96.45
_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
  In  In1  1  0.06  0.0  0.95  1.0
  In  In2  1  0.12  0.57  0.47  1.0
  In  In3  1  1.0  0.57  0.44  1.0

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