data_[Th2In6Pd14]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.5514]
_cell_length_b [9.7622]
_cell_length_c [5.6169]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5987]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ThIn3Pd7]
_chemical_formula_sum '[Th2 In6 Pd14]'
_cell_volume [432.8987]
_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  0.5000  0.5000  1
  In  In1  4  0.0000  0.2268  0.0000  1
  In  In2  2  0.0000  0.0000  0.5000  1
  Pd  Pd3  8  0.1757  0.2349  0.6813  1
  Pd  Pd4  4  0.1936  0.0000  0.0472  1
  Pd  Pd5  2  0.0000  0.5000  0.0000  1
]