data_[Tm4Ge12Ir8]
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 [C2/m]
_cell_length_a [15.7671]
_cell_length_b [3.9272]
_cell_length_c [7.5719]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6357]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmGe3Ir2]
_chemical_formula_sum '[Tm4 Ge12 Ir8]'
_cell_volume [429.5272]
_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  4  0.1255  0.0000  0.1506  1
  Ge  Ge1  4  0.0450  0.0000  0.6712  1
  Ge  Ge2  4  0.1649  0.5000  0.4672  1
  Ge  Ge3  4  0.1825  0.5000  0.9028  1
  Ir  Ir4  4  0.0081  0.5000  0.8256  1
  Ir  Ir5  4  0.2138  0.0000  0.7117  1
]