data_CaCdCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   130.53
_cell_angle_beta   130.53
_cell_angle_gamma   72.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCdCo2
_chemical_formula_sum   'Ca1 Cd1 Co2'
_cell_volume   67.46
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.0  0.97  1.0
  Co  Co2  1  0.0  0.06  0.99  1.0
  Co  Co3  1  0.06  0.0  0.99  1.0

data_CaCdCo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   4.93
_cell_angle_alpha   90.0
_cell_angle_beta   126.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaCdCo2
_chemical_formula_sum   'Ca2 Cd2 Co4'
_cell_volume   134.93
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Cd  Cd1  2  0.0  0.0  0.97  1.0
  Co  Co2  4  0.47  0.47  0.92  1.0

Ca Cd Co Co
Ca Cd Co Co 0 1 o o - 1 2 o o o 1 3 o o o 