data_[Li4Ca4Tl12Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [Cmcm]
_cell_length_a [4.6888]
_cell_length_b [14.5776]
_cell_length_c [10.0435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LiCaTl3Pb]
_chemical_formula_sum '[Li4 Ca4 Tl12 Pb4]'
_cell_volume [686.4869]
_cell_formula_units_Z [4]
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
[
  Li  Li0  4  0.0000  0.0000  0.0000  1.0
  Ca  Ca1  4  0.0000  0.1822  0.2500  1.0
  Tl  Tl2  8  0.0000  0.3410  0.0036  1.0
  Tl  Tl3  4  0.0000  0.1463  0.7500  1.0
  Pb  Pb4  4  0.0000  0.4901  0.7500  1.0
]