data_RbAuBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.68
_cell_length_b   6.37
_cell_length_c   10.93
_cell_angle_alpha   90.0
_cell_angle_beta   122.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbAuBr4
_chemical_formula_sum   'Rb2 Au2 Br8'
_cell_volume   450.78
_cell_formula_units_Z   2
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  0.05  0.19  0.6  1.0
  Rb  Rb1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.89  0.0  0.6  1.0
  Au  Au3  1  0.84  0.19  0.0  1.0
  Br  Br4  1  0.19  0.58  0.17  1.0
  Br  Br5  1  0.65  0.39  0.64  1.0
  Br  Br6  1  0.6  0.79  0.04  1.0
  Br  Br7  1  0.13  0.98  0.57  1.0
  Br  Br8  1  0.05  0.09  0.12  1.0
  Br  Br9  1  0.69  0.28  0.48  1.0
  Br  Br10  1  0.74  0.28  0.09  1.0
  Br  Br11  1  0.1  0.1  0.72  1.0

data_RbAuBr4
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.37
_cell_length_b   7.68
_cell_length_c   9.37
_cell_angle_alpha   100.97
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbAuBr4
_chemical_formula_sum   'Rb2 Au2 Br8'
_cell_volume   450.78
_cell_formula_units_Z   2
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  0.0  0.0  0.0  1.0
  Rb  Rb1  1  0.19  0.55  0.6  1.0
  Au  Au2  1  0.0  0.71  0.6  1.0
  Au  Au3  1  0.19  0.16  -0.0  1.0
  Br  Br4  1  0.09  0.07  0.12  1.0
  Br  Br5  1  0.1  0.62  0.72  1.0
  Br  Br6  1  0.28  0.8  0.48  1.0
  Br  Br7  1  0.28  0.35  0.09  1.0
  Br  Br8  1  0.39  0.99  0.64  1.0
  Br  Br9  1  0.58  0.98  0.17  1.0
  Br  Br10  1  0.79  0.44  0.04  1.0
  Br  Br11  1  0.98  0.43  0.57  1.0

Rb Rb Au Au Br Br Br Br Br Br Br Br
Rb Rb Au Au Br Br Br Br Br Br Br Br 0 11 o o o 0 2 - o o 0 7 o - o 0 9 - o o 1 8 o o o 1 3 - o o 1 4 o - o 1 6 - - o 2 11 + o o 2 9 o o o 3 10 o o o 3 8 + o o 3 4 + o o 3 6 o - o 4 8 o o o 4 8 o + o 4 10 - o o 5 9 o o o 6 11 o + - 6 10 o o o 6 10 o + o 6 8 + + o 