data_Cd2CoBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   6.39
_cell_angle_alpha   106.96
_cell_angle_beta   106.96
_cell_angle_gamma   37.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2CoBr
_chemical_formula_sum   'Cd2 Co1 Br1'
_cell_volume   94.8
_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  Cd1  1  0.09  0.0  0.45  1.0
  Cd  Cd2  1  0.04  0.0  0.92  1.0
  Co  Co3  1  0.39  0.0  0.48  1.0
  Br  Br0  1  0.93  0.0  0.27  1.0

data_Cd2CoBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   5.07
_cell_length_c   6.39
_cell_angle_alpha   106.96
_cell_angle_beta   90.0
_cell_angle_gamma   108.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2CoBr
_chemical_formula_sum   'Cd2 Co1 Br1'
_cell_volume   94.8
_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  0.0  0.91  0.55  1.0
  Cd  Cd1  1  0.0  0.96  0.08  1.0
  Co  Co2  1  0.0  0.61  0.52  1.0
  Br  Br3  1  0.0  0.07  0.73  1.0

Cd Cd Co Br