data_VCdIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.41
_cell_angle_alpha   102.54
_cell_angle_beta   102.54
_cell_angle_gamma   34.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCdIn2
_chemical_formula_sum   'V1 Cd1 In2'
_cell_volume   82.53
_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
  Cd  Cd0  1  0.4  0.0  0.63  1.0
  In  In1  1  0.68  0.0  0.06  1.0
  In  In2  1  0.12  0.0  0.21  1.0

data_VCdIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   5.26
_cell_length_c   5.41
_cell_angle_alpha   102.54
_cell_angle_beta   90.0
_cell_angle_gamma   107.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCdIn2
_chemical_formula_sum   'V1 Cd1 In2'
_cell_volume   82.53
_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
  Cd  Cd1  1  0.0  0.6  0.37  1.0
  In  In2  1  0.0  0.32  0.94  1.0
  In  In3  1  0.0  0.88  0.79  1.0

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