data_[Th4Cu8Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [7.0447]
_cell_length_b [4.1209]
_cell_length_c [9.9843]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [ThCu2Pd]
_chemical_formula_sum '[Th4 Cu8 Pd4]'
_cell_volume [289.8502]
_cell_formula_units_Z [4]
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  0.5920  1
  Th  Th1  2  0.5000  0.0000  0.7461  1
  Cu  Cu2  4  0.3119  0.0000  0.0266  1
  Cu  Cu3  2  0.0000  0.0000  0.8871  1
  Cu  Cu4  2  0.5000  0.0000  0.4621  1
  Pd  Pd5  4  0.2022  0.0000  0.2941  1
]