data_[Rb1Hg2Pb1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.9828]
_cell_length_b [7.0305]
_cell_length_c [11.1296]
_cell_angle_alpha [92.0274]
_cell_angle_beta [98.2820]
_cell_angle_gamma [97.8820]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbHg2PbBr8]
_chemical_formula_sum '[Rb1 Hg2 Pb1 Br8]'
_cell_volume [458.1493]
_cell_formula_units_Z [1]
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  0.5000  0.0000  0.5000  1.0
  Hg  Hg1  2  0.3976  0.4980  0.7962  1.0
  Pb  Pb2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  2  0.1613  0.1595  0.7600  1.0
  Br  Br4  2  0.2519  0.5093  0.5101  1.0
  Br  Br5  2  0.2787  0.6753  0.0050  1.0
  Br  Br6  2  0.2977  0.2103  0.2283  1.0
]