data_[Tl2Hg2Pb2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [5.9777]
_cell_length_b [6.3080]
_cell_length_c [8.4309]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6658]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [TlHgPbS2]
_chemical_formula_sum '[Tl2 Hg2 Pb2 S4]'
_cell_volume [316.3558]
_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
[
  Tl  Tl0  2  0.5000  0.1308  0.7500  1
  Hg  Hg1  2  0.0000  0.0000  0.0000  1
  Pb  Pb2  2  0.0000  0.4387  0.7500  1
  S  S3  4  0.2546  0.2852  0.0664  1
]