data_BaCdBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   5.82
_cell_angle_alpha   124.51
_cell_angle_beta   120.72
_cell_angle_gamma   85.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCdBr2
_chemical_formula_sum   'Ba1 Cd1 Br2'
_cell_volume   133.11
_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
  Ba  Ba0  1  0.0  0.0  0.27  1.0
  Cd  Cd3  1  0.0  0.0  0.0  1.0
  Br  Br1  1  0.71  0.0  0.17  1.0
  Br  Br2  1  0.0  0.88  0.1  1.0

data_BaCdBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.42
_cell_length_b   5.75
_cell_length_c   5.82
_cell_angle_alpha   119.64
_cell_angle_beta   117.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCdBr2
_chemical_formula_sum   'Ba1 Cd1 Br2'
_cell_volume   133.11
_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
  Ba  Ba0  1  0.0  0.27  0.27  1.0
  Cd  Cd1  1  0.0  0.0  0.0  1.0
  Br  Br2  1  0.0  0.17  0.46  1.0
  Br  Br3  1  0.12  0.22  0.22  1.0

Ba Cd Br Br