data_[Tb4Sc6Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sc  1.3600  1.6000  0.8850
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3763]
_cell_length_b [3.7605]
_cell_length_c [8.4387]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5447]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Sc3Ir2]
_chemical_formula_sum '[Tb4 Sc6 Ir4]'
_cell_volume [322.9530]
_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  0.1559  0.0000  0.7999  1
  Sc  Sc1  4  0.1239  0.5000  0.4341  1
  Sc  Sc2  2  0.0000  0.5000  0.0000  1
  Ir  Ir3  4  0.1647  0.0000  0.2337  1
]