data_[Tl2Cu2Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.1978]
_cell_length_b [3.5420]
_cell_length_c [6.3039]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.6101]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TlCuPb2]
_chemical_formula_sum '[Tl2 Cu2 Pb4]'
_cell_volume [217.3740]
_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  2  0.0546  0.5000  0.6153  1
  Cu  Cu1  2  0.2650  0.0000  0.6212  1
  Pb  Pb2  2  0.2429  0.5000  0.2611  1
  Pb  Pb3  2  0.4375  0.5000  0.0024  1
]