data_[Tl4Sb2Pb5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [9.0233]
_cell_length_b [3.3496]
_cell_length_c [11.6870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6981]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tl4Sb2Pb5]
_chemical_formula_sum '[Tl4 Sb2 Pb5]'
_cell_volume [350.8195]
_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  0.1529  0.5000  0.9006  1.0
  Tl  Tl1  2  0.3046  0.5000  0.4427  1.0
  Sb  Sb2  2  0.0511  0.0000  0.6338  1.0
  Pb  Pb3  2  0.2014  0.0000  0.1776  1.0
  Pb  Pb4  2  0.4108  0.0000  0.7148  1.0
  Pb  Pb5  1  0.5000  0.0000  0.0000  1.0
]