data_[Tl4P4Pb2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  P  2.1900  1.0000  0.5500
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5824]
_cell_length_b [6.0786]
_cell_length_c [7.1452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.4153]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2P2PbO6]
_chemical_formula_sum '[Tl4 P4 Pb2 O12]'
_cell_volume [388.0065]
_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  4  0.2146  0.5000  0.1882  1.0
  P  P1  4  0.0409  0.0000  0.1795  1.0
  Pb  Pb2  2  0.0000  0.5000  0.5000  1.0
  O  O3  8  0.0246  0.2120  0.7813  1.0
  O  O4  4  0.2140  0.0000  0.3105  1.0
]