data_[Li8Th8Pd24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Th  1.3000  1.8000  1.0800
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.6569]
_cell_length_b [10.9535]
_cell_length_c [9.8028]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LiThPd3]
_chemical_formula_sum '[Li8 Th8 Pd24]'
_cell_volume [822.1587]
_cell_formula_units_Z [8]
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
[
  Li  Li0  4  0.0000  0.1174  0.7500  1
  Li  Li1  4  0.0000  0.4306  0.2500  1
  Th  Th2  8  0.2500  0.2500  0.0000  1
  Pd  Pd3  8  0.0000  0.0868  0.1066  1
  Pd  Pd4  8  0.1759  0.5000  0.0000  1
  Pd  Pd5  8  0.1761  0.3540  0.7500  1
]