data_[Ca4Tl24Pb10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tl  1.6200  1.9000  1.3325
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.6789]
_cell_length_b [8.3904]
_cell_length_c [11.9641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.0068]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Tl12Pb5]
_chemical_formula_sum '[Ca4 Tl24 Pb10]'
_cell_volume [1204.2498]
_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
[
  Ca  Ca0  4  0.0000  0.2549  0.0000  1.0
  Tl  Tl1  8  0.0928  0.2203  0.4025  1.0
  Tl  Tl2  8  0.1912  0.2196  0.7820  1.0
  Tl  Tl3  4  0.1855  0.5000  0.3055  1.0
  Tl  Tl4  4  0.2092  0.0000  0.3087  1.0
  Pb  Pb5  4  0.1020  0.5000  0.8798  1.0
  Pb  Pb6  4  0.1214  0.0000  0.9333  1.0
  Pb  Pb7  2  0.0000  0.5000  0.5000  1.0
]