data_CdCoBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03
_cell_length_b   3.47
_cell_length_c   7.28
_cell_angle_alpha   90.0
_cell_angle_beta   104.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCoBr2
_chemical_formula_sum   'Cd1 Co1 Br2'
_cell_volume   98.54
_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
  Cd  Cd2  1  0.3  0.74  0.99  1.0
  Co  Co3  1  0.32  0.0  0.3  1.0
  Br  Br0  1  0.33  0.74  0.6  1.0
  Br  Br1  1  0.38  0.0  0.66  1.0

data_CdCoBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   4.03
_cell_length_c   7.28
_cell_angle_alpha   104.62
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCoBr2
_chemical_formula_sum   'Cd1 Co1 Br2'
_cell_volume   98.54
_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
  Cd  Cd0  1  0.26  0.7  0.01  1.0
  Co  Co1  1  0.0  0.68  0.7  1.0
  Br  Br2  1  0.0  0.62  0.34  1.0
  Br  Br3  1  0.26  0.67  0.4  1.0

Cd Co Br Br