data_[Tm2Al2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Al  1.6100  1.2500  0.6750
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0090]
_cell_length_b [5.4009]
_cell_length_c [7.3317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0664]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmAlPd6]
_chemical_formula_sum '[Tm2 Al2 Pd12]'
_cell_volume [293.9055]
_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  0.5000  0.5000  1
  Al  Al1  2  0.0000  0.0000  0.0000  1
  Pd  Pd2  8  0.1839  0.2563  0.2898  1
  Pd  Pd3  4  0.1576  0.5000  0.9445  1
]