data_RbGaBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.3
_cell_length_b   7.78
_cell_length_c   10.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbGaBr4
_chemical_formula_sum   'Rb4 Ga4 Br16'
_cell_volume   982.91
_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  0.27  0.95  0.77  1.0
  Rb  Rb1  1  0.03  0.84  0.49  1.0
  Rb  Rb2  1  0.88  0.84  0.64  1.0
  Rb  Rb3  1  0.42  0.95  0.62  1.0
  Ga  Ga4  1  0.78  0.95  0.95  1.0
  Ga  Ga5  1  0.53  0.84  0.31  1.0
  Ga  Ga6  1  0.38  0.84  0.08  1.0
  Ga  Ga7  1  0.93  0.95  0.18  1.0
  Br  Br8  1  0.78  0.95  0.12  1.0
  Br  Br9  1  0.52  0.84  0.14  1.0
  Br  Br10  1  0.37  0.84  0.25  1.0
  Br  Br11  1  0.93  0.95  0.01  1.0
  Br  Br12  1  0.49  0.95  0.34  1.0
  Br  Br13  1  0.81  0.84  0.93  1.0
  Br  Br14  1  0.66  0.84  0.47  1.0
  Br  Br15  1  0.64  0.95  0.79  1.0
  Br  Br16  1  0.02  0.03  0.34  1.0
  Br  Br17  1  0.28  0.75  0.92  1.0
  Br  Br18  1  0.13  0.75  0.47  1.0
  Br  Br19  1  0.28  0.93  0.92  1.0
  Br  Br20  1  0.17  0.03  0.79  1.0
  Br  Br21  1  0.02  0.86  0.34  1.0
  Br  Br22  1  0.17  0.86  0.79  1.0
  Br  Br23  1  0.13  0.93  0.47  1.0

data_RbGaBr4
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.78
_cell_length_b   10.26
_cell_length_c   12.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   RbGaBr4
_chemical_formula_sum   'Rb4 Ga4 Br16'
_cell_volume   982.91
_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  0.45  0.36  0.88  1.0
  Rb  Rb1  2  0.45  0.51  0.73  1.0
  Ga  Ga2  2  0.45  0.18  0.38  1.0
  Ga  Ga3  2  0.45  0.95  0.22  1.0
  Br  Br4  2  0.36  0.79  0.13  1.0
  Br  Br5  2  0.36  0.34  0.98  1.0
  Br  Br6  2  0.45  0.01  0.37  1.0
  Br  Br7  2  0.45  0.12  0.22  1.0
  Br  Br8  2  0.45  0.34  0.51  1.0
  Br  Br9  2  0.45  0.79  0.66  1.0
  Br  Br10  2  0.47  0.21  0.87  1.0
  Br  Br11  2  0.47  0.66  0.02  1.0

Rb Rb Rb Rb Ga Ga Ga Ga Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br