data_[Sn1Hg2Pb1Br4]
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 [P1]
_cell_length_a [6.0560]
_cell_length_b [7.3047]
_cell_length_c [8.0146]
_cell_angle_alpha [107.3777]
_cell_angle_beta [111.4409]
_cell_angle_gamma [101.7312]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SnHg2PbBr4]
_chemical_formula_sum '[Sn1 Hg2 Pb1 Br4]'
_cell_volume [294.8111]
_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  0.3966  0.0704  0.5046  1.0
  Hg  Hg1  1  0.6351  0.4230  0.9709  1.0
  Hg  Hg2  1  0.8966  0.1175  0.1783  1.0
  Pb  Pb3  1  0.8931  0.7497  0.7922  1.0
  Br  Br4  1  0.3274  0.7646  0.1717  1.0
  Br  Br5  1  0.3279  0.7598  0.6835  1.0
  Br  Br6  1  0.6092  0.3982  0.4055  1.0
  Br  Br7  1  0.9142  0.1039  0.6804  1.0
]