data_[Tm12Ir4Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ir  2.2000  1.3500  0.7650
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.5383]
_cell_length_b [7.3114]
_cell_length_c [11.1490]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.4782]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tm6Ir2Pd]
_chemical_formula_sum '[Tm12 Ir4 Pd2]'
_cell_volume [449.6133]
_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  4  0.0768  0.0515  0.2398  1
  Tm  Tm1  4  0.2291  0.6790  0.0782  1
  Tm  Tm2  4  0.3839  0.1651  0.0630  1
  Ir  Ir3  4  0.3084  0.1188  0.7652  1
  Pd  Pd4  2  0.5000  0.0000  0.5000  1
]