data_[Th6In1Pb10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [9.6228]
_cell_length_b [9.6228]
_cell_length_c [6.4842]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [162]
_chemical_formula_structural [Th6InPb10]
_chemical_formula_sum '[Th6 In1 Pb10]'
_cell_volume [519.9814]
_cell_formula_units_Z [1]
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  6  0.0000  0.3855  0.2608  1
  In  In1  1  0.0000  0.0000  0.5000  1
  Pb  Pb2  6  0.0000  0.2634  0.7790  1
  Pb  Pb3  2  0.3333  0.6667  0.5000  1
  Pb  Pb4  2  0.3333  0.6667  0.0000  1
]