data_VCdCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   3.57
_cell_length_c   5.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCdCu2
_chemical_formula_sum   'V1 Cd1 Cu2'
_cell_volume   58.46
_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  0.0  0.0  0.99  1.0
  Cu  Cu1  1  0.37  0.78  0.68  1.0
  Cu  Cu2  1  0.37  0.78  0.3  1.0

data_VCdCu2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.74
_cell_length_b   5.98
_cell_length_c   3.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   VCdCu2
_chemical_formula_sum   'V1 Cd1 Cu2'
_cell_volume   58.46
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.0  1.0
  Cu  Cu2  2  0.37  0.32  0.78  1.0

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