data_[Tb10Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5400]
_cell_length_b [4.2890]
_cell_length_c [9.8370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0992]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb5Ir4]
_chemical_formula_sum '[Tb10 Ir8]'
_cell_volume [412.0272]
_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
[
  Tb  Tb0  4  0.1096  0.0000  0.3967  1.0
  Tb  Tb1  4  0.2446  0.0000  0.8213  1.0
  Tb  Tb2  2  0.0000  0.0000  0.0000  1.0
  Ir  Ir3  4  0.0508  0.5000  0.8514  1.0
  Ir  Ir4  4  0.1169  0.5000  0.6178  1.0
]