data_Rb3LaBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.57
_cell_length_b   8.6
_cell_length_c   13.9
_cell_angle_alpha   90.0
_cell_angle_beta   108.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb3LaBr6
_chemical_formula_sum   'Rb12 La4 Br24'
_cell_volume   1651.85
_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  0.72  0.86  0.67  1.0
  Rb  Rb1  1  0.44  0.74  0.51  1.0
  Rb  Rb2  1  0.23  0.56  0.1  1.0
  Rb  Rb3  1  0.93  0.04  0.08  1.0
  Rb  Rb4  1  0.32  0.31  0.45  1.0
  Rb  Rb5  1  0.84  0.3  0.73  1.0
  Rb  Rb6  1  0.63  0.61  0.32  1.0
  Rb  Rb7  1  0.53  1.0  0.86  1.0
  Rb  Rb8  1  0.0  0.58  0.7  1.0
  Rb  Rb9  1  0.15  0.02  0.48  1.0
  Rb  Rb10  1  0.95  0.88  0.08  1.0
  Rb  Rb11  1  0.21  0.72  0.11  1.0
  La  La12  1  0.08  0.0  0.59  1.0
  La  La13  1  0.29  0.3  0.0  1.0
  La  La14  1  0.0  0.0  0.0  1.0
  La  La15  1  0.79  0.3  0.59  1.0
  Br  Br16  1  0.01  0.3  0.35  1.0
  Br  Br17  1  0.14  0.3  0.84  1.0
  Br  Br18  1  0.93  0.6  0.43  1.0
  Br  Br19  1  0.22  0.0  0.76  1.0
  Br  Br20  1  0.19  0.11  0.13  1.0
  Br  Br21  1  0.97  0.49  0.05  1.0
  Br  Br22  1  0.76  0.81  0.64  1.0
  Br  Br23  1  0.4  0.79  0.54  1.0
  Br  Br24  1  0.88  0.84  0.0  1.0
  Br  Br25  1  0.28  0.76  0.18  1.0
  Br  Br26  1  0.07  0.14  0.77  1.0
  Br  Br27  1  0.08  0.46  0.41  1.0
  Br  Br28  1  0.74  0.06  0.61  1.0
  Br  Br29  1  0.41  0.54  0.57  1.0
  Br  Br30  1  0.21  0.36  0.16  1.0
  Br  Br31  1  0.95  0.24  0.02  1.0
  Br  Br32  1  0.81  0.06  0.09  1.0
  Br  Br33  1  0.34  0.54  0.09  1.0
  Br  Br34  1  0.14  0.76  0.68  1.0
  Br  Br35  1  0.02  0.84  0.5  1.0
  Br  Br36  1  0.07  0.47  0.93  1.0
  Br  Br37  1  0.08  0.13  0.25  1.0
  Br  Br38  1  0.88  0.77  0.84  1.0
  Br  Br39  1  0.28  0.83  0.34  1.0

data_Rb3LaBr6
_symmetry_space_group_name_H-M   P1
_cell_length_a   8.6
_cell_length_b   13.9
_cell_length_c   14.57
_cell_angle_alpha   108.52
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb3LaBr6
_chemical_formula_sum   'Rb12 La4 Br24'
_cell_volume   1651.85
_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  0.02  0.48  0.15  1.0
  Rb  Rb1  1  0.04  0.08  0.93  1.0
  Rb  Rb2  1  0.3  0.73  0.84  1.0
  Rb  Rb3  1  0.31  0.45  0.32  1.0
  Rb  Rb4  1  0.56  0.1  0.23  1.0
  Rb  Rb5  1  0.58  0.7  0.0  1.0
  Rb  Rb6  1  0.61  0.32  0.63  1.0
  Rb  Rb7  1  0.72  0.11  0.21  1.0
  Rb  Rb8  1  0.74  0.51  0.44  1.0
  Rb  Rb9  1  0.86  0.67  0.72  1.0
  Rb  Rb10  1  0.88  0.08  0.95  1.0
  Rb  Rb11  1  1.0  0.86  0.53  1.0
  La  La12  1  0.0  0.0  0.0  1.0
  La  La13  1  0.0  0.59  0.08  1.0
  La  La14  1  0.3  0.0  0.29  1.0
  La  La15  1  0.3  0.59  0.79  1.0
  Br  Br16  1  0.0  0.76  0.22  1.0
  Br  Br17  1  0.06  0.61  0.74  1.0
  Br  Br18  1  0.06  0.09  0.81  1.0
  Br  Br19  1  0.11  0.13  0.19  1.0
  Br  Br20  1  0.13  0.25  0.08  1.0
  Br  Br21  1  0.14  0.77  0.07  1.0
  Br  Br22  1  0.24  0.02  0.95  1.0
  Br  Br23  1  0.3  0.35  0.01  1.0
  Br  Br24  1  0.3  0.84  0.14  1.0
  Br  Br25  1  0.36  0.16  0.21  1.0
  Br  Br26  1  0.46  0.41  0.08  1.0
  Br  Br27  1  0.47  0.93  0.07  1.0
  Br  Br28  1  0.49  0.05  0.97  1.0
  Br  Br29  1  0.54  0.09  0.34  1.0
  Br  Br30  1  0.54  0.57  0.41  1.0
  Br  Br31  1  0.6  0.43  0.93  1.0
  Br  Br32  1  0.76  0.68  0.14  1.0
  Br  Br33  1  0.76  0.18  0.28  1.0
  Br  Br34  1  0.77  0.84  0.88  1.0
  Br  Br35  1  0.79  0.54  0.4  1.0
  Br  Br36  1  0.81  0.64  0.76  1.0
  Br  Br37  1  0.83  0.34  0.28  1.0
  Br  Br38  1  0.84  0.0  0.88  1.0
  Br  Br39  1  0.84  0.5  0.02  1.0

Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb La La La La Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br