data_[Sn1Hg1Pb2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  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 [6.8661]
_cell_length_b [7.2645]
_cell_length_c [8.9248]
_cell_angle_alpha [91.6409]
_cell_angle_beta [92.0814]
_cell_angle_gamma [90.3258]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SnHg(PbBr4)2]
_chemical_formula_sum '[Sn1 Hg1 Pb2 Br8]'
_cell_volume [444.6719]
_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
[
  Sn  Sn0  1  0.0000  0.0000  0.5000  1.0
  Hg  Hg1  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  2  0.4951  0.4925  0.7559  1.0
  Br  Br3  2  0.2152  0.1399  0.2299  1.0
  Br  Br4  2  0.2485  0.6573  0.9970  1.0
  Br  Br5  2  0.2514  0.1556  0.7550  1.0
  Br  Br6  2  0.2534  0.6651  0.4964  1.0
]