data_VCdIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   5.33
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCdIn2
_chemical_formula_sum   'V1 Cd1 In2'
_cell_volume   87.06
_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  0.59  0.0  0.56  1.0
  Cd  Cd0  1  0.33  0.67  0.96  1.0
  In  In1  1  0.02  0.0  0.18  1.0
  In  In2  1  0.69  0.67  0.41  1.0

data_VCdIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   5.24
_cell_length_c   5.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCdIn2
_chemical_formula_sum   'V1 Cd1 In2'
_cell_volume   87.06
_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  0.41  0.44  0.0  1.0
  Cd  Cd1  1  0.67  0.04  0.33  1.0
  In  In2  1  0.31  0.59  0.33  1.0
  In  In3  1  0.98  0.82  0.0  1.0

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