data_CrCdCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.7
_cell_length_b   2.7
_cell_length_c   7.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCdCo2
_chemical_formula_sum   'Cr1 Cd1 Co2'
_cell_volume   51.55
_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
  Cr  Cr3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.54  1.0
  Co  Co1  1  0.35  0.35  0.6  1.0
  Co  Co2  1  0.35  0.35  0.49  1.0

data_CrCdCo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.81
_cell_length_b   3.81
_cell_length_c   7.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrCdCo2
_chemical_formula_sum   'Cr2 Cd2 Co4'
_cell_volume   103.1
_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
  Cr  Cr0  2  0.0  0.0  0.0  1.0
  Cd  Cd1  2  0.0  0.0  0.54  1.0
  Co  Co2  2  0.35  0.0  0.49  1.0
  Co  Co3  2  0.35  0.0  0.6  1.0

Cr Cd Co Co
Cr Cd Co Co 0 0 + o o 0 0 o + o 0 2 o o - 1 3 o o o 1 2 o o o 2 3 o o o 