data_[Tl4As2Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  As  2.1800  1.1500  0.6600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.9962]
_cell_length_b [4.0364]
_cell_length_c [5.8038]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.2660]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tl2AsPb]
_chemical_formula_sum '[Tl4 As2 Pb2]'
_cell_volume [247.5163]
_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  0.2951  0.5000  0.3407  1.0
  Tl  Tl1  2  0.4918  0.5000  0.9993  1.0
  As  As2  2  0.0200  0.5000  0.4184  1.0
  Pb  Pb3  2  0.1931  0.0000  0.7416  1.0
]