data_[Tl3As3Pb2]
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 [Pmm2]
_cell_length_a [4.1673]
_cell_length_b [10.1283]
_cell_length_c [19.1066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Tl3As3Pb2]
_chemical_formula_sum '[Tl3 As3 Pb2]'
_cell_volume [806.4415]
_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
[
  Tl  Tl0  2  0.0000  0.2442  0.5779  1
  Tl  Tl1  1  0.5000  0.5000  0.3845  1
  As  As2  2  0.0000  0.1200  0.4246  1
  As  As3  1  0.0000  0.5000  0.4960  1
  Pb  Pb4  1  0.5000  0.0000  0.5150  1
  Pb  Pb5  1  0.5000  0.5000  0.5995  1
]