data_[Tm2Si4Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4920]
_cell_length_b [10.9933]
_cell_length_c [4.4761]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9813]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm(SiPd4)2]
_chemical_formula_sum '[Tm2 Si4 Pd16]'
_cell_volume [356.1318]
_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  0.0000  0.0000  0.5000  1
  Si  Si1  4  0.0000  0.3209  0.0000  1
  Pd  Pd2  8  0.1950  0.1302  0.0867  1
  Pd  Pd3  4  0.0000  0.2506  0.5000  1
  Pd  Pd4  4  0.1103  0.5000  0.3081  1
]