data_[Tb4Ge8Ir1]
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 [Pmm2]
_cell_length_a [4.0522]
_cell_length_b [4.1630]
_cell_length_c [16.2569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Tb4Ge8Ir]
_chemical_formula_sum '[Tb4 Ge8 Ir1]'
_cell_volume [274.2429]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0987  1
  Tb  Tb1  1  0.0000  0.5000  0.6092  1
  Tb  Tb2  1  0.5000  0.0000  0.8946  1
  Tb  Tb3  1  0.5000  0.5000  0.3989  1
  Ge  Ge4  1  0.0000  0.0000  0.4652  1
  Ge  Ge5  1  0.0000  0.0000  0.7498  1
  Ge  Ge6  1  0.0000  0.5000  0.2326  1
  Ge  Ge7  1  0.0000  0.5000  0.9416  1
  Ge  Ge8  1  0.5000  0.0000  0.2311  1
  Ge  Ge9  1  0.5000  0.0000  0.5653  1
  Ge  Ge10  1  0.5000  0.5000  0.0458  1
  Ge  Ge11  1  0.5000  0.5000  0.7544  1
  Ir  Ir12  1  0.0000  0.0000  0.3158  1
]