data_Rb2ZnBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.79
_cell_length_b   9.93
_cell_length_c   15.73
_cell_angle_alpha   90.0
_cell_angle_beta   119.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb2ZnBr4
_chemical_formula_sum   'Rb8 Zn4 Br16'
_cell_volume   1058.94
_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  1.0  0.18  0.26  1.0
  Rb  Rb1  1  0.96  0.14  0.21  1.0
  Rb  Rb2  1  0.24  0.11  0.34  1.0
  Rb  Rb3  1  0.82  0.82  0.36  1.0
  Rb  Rb4  1  0.86  0.71  0.41  1.0
  Rb  Rb5  1  0.1  0.78  0.49  1.0
  Rb  Rb6  1  0.2  0.22  0.29  1.0
  Rb  Rb7  1  0.06  0.74  0.44  1.0
  Zn  Zn8  1  0.12  0.21  0.65  1.0
  Zn  Zn9  1  0.95  0.72  0.05  1.0
  Zn  Zn10  1  0.98  0.68  0.8  1.0
  Zn  Zn11  1  0.08  0.24  0.9  1.0
  Br  Br12  1  0.04  0.17  0.7  1.0
  Br  Br13  1  0.88  0.14  0.15  1.0
  Br  Br14  1  0.6  0.75  0.03  1.0
  Br  Br15  1  0.6  0.78  0.52  1.0
  Br  Br16  1  0.08  0.73  0.0  1.0
  Br  Br17  1  0.22  0.16  0.85  1.0
  Br  Br18  1  0.02  0.75  1.0  1.0
  Br  Br19  1  0.18  0.79  0.55  1.0
  Br  Br20  1  0.98  0.2  0.7  1.0
  Br  Br21  1  0.46  0.14  0.18  1.0
  Br  Br22  1  0.32  0.99  0.2  1.0
  Br  Br23  1  0.84  0.77  0.85  1.0
  Br  Br24  1  0.88  0.02  0.35  1.0
  Br  Br25  1  0.46  0.18  0.67  1.0
  Br  Br26  1  0.74  0.94  0.5  1.0
  Br  Br27  1  0.19  0.9  0.35  1.0

data_Rb2ZnBr4
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.79
_cell_length_b   9.93
_cell_length_c   13.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Rb2ZnBr4
_chemical_formula_sum   'Rb8 Zn4 Br16'
_cell_volume   1058.94
_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  0.27  0.26  0.44  1.0
  Rb  Rb1  2  0.28  0.14  0.49  1.0
  Rb  Rb2  2  0.43  0.18  0.36  1.0
  Rb  Rb3  2  0.45  0.22  0.41  1.0
  Zn  Zn4  2  0.0  0.72  0.95  1.0
  Zn  Zn5  2  0.29  0.76  0.2  1.0
  Br  Br6  2  0.06  0.02  0.35  1.0
  Br  Br7  2  0.1  0.77  0.15  1.0
  Br  Br8  2  0.11  0.82  0.67  1.0
  Br  Br9  2  0.16  0.79  0.15  1.0
  Br  Br10  2  0.19  0.8  1.0  1.0
  Br  Br11  2  0.34  0.94  0.5  1.0
  Br  Br12  2  0.39  0.22  0.82  1.0
  Br  Br13  2  0.44  0.17  0.3  1.0

Rb Rb Rb Rb Rb Rb Rb Rb Zn Zn Zn Zn Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br