data_CaCdCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   2.9
_cell_angle_alpha   97.24
_cell_angle_beta   97.24
_cell_angle_gamma   110.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCdCo2
_chemical_formula_sum   'Ca1 Cd1 Co2'
_cell_volume   70.75
_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  0.0  0.0  1.0
  Cd  Cd1  1  0.94  0.0  0.0  1.0
  Co  Co2  1  0.15  0.13  0.41  1.0
  Co  Co3  1  0.15  0.87  0.41  1.0

data_CaCdCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   110.84
_cell_angle_beta   97.24
_cell_angle_gamma   97.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCdCo2
_chemical_formula_sum   'Ca1 Cd1 Co2'
_cell_volume   70.75
_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  0.0  0.0  1.0
  Cd  Cd1  1  -0.0  0.94  0.0  1.0
  Co  Co2  1  0.41  0.15  0.13  1.0
  Co  Co3  1  0.41  0.15  0.87  1.0

Ca Cd Co Co