data_[Tb8Ge16Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ge  2.0100  1.2500  0.7700
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2940]
_cell_length_b [8.9302]
_cell_length_c [16.1866]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [TbGe2Ir]
_chemical_formula_sum '[Tb8 Ge16 Ir8]'
_cell_volume [620.6889]
_cell_formula_units_Z [8]
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
[
  Tb  Tb0  4  0.0000  0.2624  0.0000  1.0
  Tb  Tb1  4  0.0000  0.5000  0.2054  1.0
  Ge  Ge2  8  0.0000  0.1532  0.2008  1.0
  Ge  Ge3  4  0.0000  0.0000  0.4231  1.0
  Ge  Ge4  4  0.0000  0.5000  0.4220  1.0
  Ir  Ir5  8  0.0000  0.2509  0.3546  1.0
]