data_[Tb12Co2Ir4I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Co  1.8800  1.3500  0.7683
  Ir  2.2000  1.3500  0.7650
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0454]
_cell_length_b [12.1912]
_cell_length_c [8.2567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4383]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6CoIr2I3]
_chemical_formula_sum '[Tb12 Co2 Ir4 I6]'
_cell_volume [680.2013]
_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  8  0.2219  0.1618  0.1802  1.0
  Tb  Tb1  4  0.2370  0.5000  0.1812  1.0
  Co  Co2  2  0.0000  0.0000  0.0000  1.0
  Ir  Ir3  4  0.0000  0.3335  0.0000  1.0
  I  I4  4  0.0000  0.1665  0.5000  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]