data_[Tm12Ge8Ir8]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [5.5680]
_cell_length_b [7.6980]
_cell_length_c [13.2333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [Tm3(GeIr)2]
_chemical_formula_sum '[Tm12 Ge8 Ir8]'
_cell_volume [567.2167]
_cell_formula_units_Z [4]
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  8  0.1464  0.6042  0.0995  1
  Tm  Tm1  4  0.3770  0.2394  0.2500  1
  Ge  Ge2  4  0.1176  0.6088  0.7500  1
  Ge  Ge3  4  0.3365  0.2500  0.0000  1
  Ir  Ir4  8  0.3679  0.5474  0.5934  1
]