data_[Tl24Cd4Pb10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0669]
_cell_length_b [6.7696]
_cell_length_c [10.1079]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2642]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl12Cd2Pb5]
_chemical_formula_sum '[Tl24 Cd4 Pb10]'
_cell_volume [1192.6461]
_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  8  0.1556  0.2400  0.8975  1.0
  Tl  Tl1  8  0.1625  0.2506  0.5212  1.0
  Tl  Tl2  4  0.0060  0.5000  0.6716  1.0
  Tl  Tl3  4  0.0405  0.0000  0.2207  1.0
  Cd  Cd4  4  0.0000  0.2980  0.0000  1.0
  Pb  Pb5  4  0.1628  0.5000  0.2122  1.0
  Pb  Pb6  4  0.2160  0.0000  0.2217  1.0
  Pb  Pb7  2  0.0000  0.0000  0.5000  1.0
]