data_RbCdBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.79
_cell_length_b   4.32
_cell_length_c   16.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbCdBr3
_chemical_formula_sum   'Rb4 Cd4 Br12'
_cell_volume   677.21
_cell_formula_units_Z   4
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
  Rb  Rb0  1  0.59  0.24  0.81  1.0
  Rb  Rb1  1  0.2  0.08  0.21  1.0
  Rb  Rb2  1  0.49  0.24  0.22  1.0
  Rb  Rb3  1  0.3  0.08  0.8  1.0
  Cd  Cd4  1  0.29  0.24  0.15  1.0
  Cd  Cd5  1  0.5  0.08  0.87  1.0
  Cd  Cd6  1  0.18  0.24  0.86  1.0
  Cd  Cd7  1  0.61  0.08  0.16  1.0
  Br  Br8  1  0.2  0.24  0.69  1.0
  Br  Br9  1  0.6  0.08  0.33  1.0
  Br  Br10  1  0.09  0.24  0.32  1.0
  Br  Br11  1  0.7  0.08  0.7  1.0
  Br  Br12  1  0.22  0.24  0.09  1.0
  Br  Br13  1  0.57  0.08  0.93  1.0
  Br  Br14  1  0.12  0.24  0.92  1.0
  Br  Br15  1  0.68  0.08  0.1  1.0
  Br  Br16  1  0.66  0.24  0.6  1.0
  Br  Br17  1  0.13  0.08  0.42  1.0
  Br  Br18  1  0.56  0.24  0.43  1.0
  Br  Br19  1  0.23  0.08  0.59  1.0

data_RbCdBr3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.32
_cell_length_b   9.79
_cell_length_c   16.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   RbCdBr3
_chemical_formula_sum   'Rb4 Cd4 Br12'
_cell_volume   677.21
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Rb  Rb0  2  0.42  0.3  0.7  1.0
  Rb  Rb1  2  0.42  0.41  0.29  1.0
  Cd  Cd2  2  0.42  0.61  0.36  1.0
  Cd  Cd3  2  0.42  0.71  0.65  1.0
  Br  Br4  2  0.42  0.23  0.91  1.0
  Br  Br5  2  0.42  0.34  0.08  1.0
  Br  Br6  2  0.42  0.68  0.42  1.0
  Br  Br7  2  0.42  0.7  0.82  1.0
  Br  Br8  2  0.42  0.78  0.59  1.0
  Br  Br9  2  0.42  0.8  0.19  1.0

Rb Rb Rb Rb Cd Cd Cd Cd Br Br Br Br Br Br Br Br Br Br Br Br