data_[Tm2Pd2Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9844]
_cell_length_b [5.4124]
_cell_length_c [8.9239]
_cell_angle_alpha [102.9545]
_cell_angle_beta [97.3733]
_cell_angle_gamma [95.3896]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TmPdAu4]
_chemical_formula_sum '[Tm2 Pd2 Au8]'
_cell_volume [230.7940]
_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
[
  Tm  Tm0  2  0.3993  0.7279  0.7375  1
  Pd  Pd1  2  0.0607  0.9672  0.2522  1
  Au  Au2  2  0.0557  0.2877  0.0582  1
  Au  Au3  2  0.1594  0.5546  0.3854  1
  Au  Au4  2  0.3057  0.1608  0.5543  1
  Au  Au5  2  0.4872  0.7243  0.1160  1
]