data_[Tb2B10Ir12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  B  2.0400  0.8500  0.4100
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.8656]
_cell_length_b [9.4222]
_cell_length_c [6.3547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.0494]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbB5Ir6]
_chemical_formula_sum '[Tb2 B10 Ir12]'
_cell_volume [312.7891]
_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  2  0.0000  0.0000  0.0000  1
  B  B1  4  0.0000  0.0945  0.5000  1
  B  B2  4  0.0000  0.3199  0.0000  1
  B  B3  2  0.0000  0.5000  0.5000  1
  Ir  Ir4  8  0.1267  0.2554  0.7473  1
  Ir  Ir5  4  0.1372  0.5000  0.2601  1
]