data_CaV2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   5.92
_cell_angle_alpha   100.42
_cell_angle_beta   100.42
_cell_angle_gamma   36.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaV2Cd
_chemical_formula_sum   'Ca1 V2 Cd1'
_cell_volume   85.62
_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
  Ca  Ca0  1  0.16  0.0  0.86  1.0
  V  V2  1  0.12  0.0  0.24  1.0
  V  V3  1  0.65  0.0  0.02  1.0
  Cd  Cd1  1  0.62  0.0  0.6  1.0

data_CaV2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.99
_cell_length_c   5.92
_cell_angle_alpha   100.42
_cell_angle_beta   90.0
_cell_angle_gamma   108.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaV2Cd
_chemical_formula_sum   'Ca1 V2 Cd1'
_cell_volume   85.62
_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
  Ca  Ca0  1  0.0  0.84  0.14  1.0
  V  V1  1  0.0  0.35  0.98  1.0
  V  V2  1  0.0  0.88  0.76  1.0
  Cd  Cd3  1  0.0  0.38  0.4  1.0

Ca V V Cd