data_[Sn2Hg1Pb1Br8]
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 [6.9259]
_cell_length_b [7.3442]
_cell_length_c [8.8587]
_cell_angle_alpha [92.6483]
_cell_angle_beta [92.3376]
_cell_angle_gamma [90.1196]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sn2HgPbBr8]
_chemical_formula_sum '[Sn2 Hg1 Pb1 Br8]'
_cell_volume [449.7426]
_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  2  0.4962  0.4798  0.7565  1.0
  Hg  Hg1  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  1  0.0000  0.0000  0.5000  1.0
  Br  Br3  2  0.2037  0.1471  0.2225  1.0
  Br  Br4  2  0.2538  0.6624  0.4837  1.0
  Br  Br5  2  0.2577  0.6489  0.0081  1.0
  Br  Br6  2  0.2733  0.1577  0.7529  1.0
]