data_[Th2As4Pb2O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  As  2.1800  1.1500  0.6600
  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 [8.9093]
_cell_length_b [5.8727]
_cell_length_c [8.0550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0638]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ThAs2PbO8]
_chemical_formula_sum '[Th2 As4 Pb2 O16]'
_cell_volume [421.4516]
_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
[
  Th  Th0  2  0.0000  0.0000  0.0000  1
  As  As1  4  0.1394  0.5000  0.2472  1
  Pb  Pb2  2  0.0000  0.0000  0.5000  1
  O  O3  8  0.0292  0.2571  0.2226  1
  O  O4  4  0.2225  0.5000  0.4346  1
  O  O5  4  0.2436  0.0000  0.9235  1
]