data_[Ca4Tl16Pb2]
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 [14.5111]
_cell_length_b [6.5440]
_cell_length_c [7.8132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0104]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Tl8Pb]
_chemical_formula_sum '[Ca4 Tl16 Pb2]'
_cell_volume [687.8691]
_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  0.1573  0.0000  0.7803  1
  Tl  Tl1  8  0.0837  0.2612  0.3884  1
  Tl  Tl2  4  0.1058  0.5000  0.9838  1
  Tl  Tl3  4  0.2459  0.0000  0.2550  1
  Pb  Pb4  2  0.0000  0.0000  0.0000  1
]