data_[Tm36Ge3Pd18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.7091]
_cell_length_b [12.7091]
_cell_length_c [11.1758]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tm12GePd6]
_chemical_formula_sum '[Tm36 Ge3 Pd18]'
_cell_volume [1563.2828]
_cell_formula_units_Z [3]
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  0.0280  0.8153  0.3865  1
  Tm  Tm1  18  0.0366  0.8255  0.8845  1
  Ge  Ge2  3  0.0000  0.0000  0.0000  1
  Pd  Pd3  18  0.0409  0.7810  0.6420  1
]