data_[Tm18Cu6Pd36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.0403]
_cell_length_b [12.0403]
_cell_length_c [8.7336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tm3CuPd6]
_chemical_formula_sum '[Tm18 Cu6 Pd36]'
_cell_volume [1096.4767]
_cell_formula_units_Z [6]
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  18  0.0425  0.8383  0.7469  1.0
  Cu  Cu1  3  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  3  0.0000  0.0000  0.5000  1.0
  Pd  Pd3  18  0.0488  0.8109  0.0782  1.0
  Pd  Pd4  18  0.0604  0.8214  0.4235  1.0
]