data_[Tb12Te6Ir4Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Te  2.1000  1.4000  1.2933
  Ir  2.2000  1.3500  0.7650
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.8735]
_cell_length_b [4.1870]
_cell_length_c [8.6907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3325]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6Te3Ir2Se]
_chemical_formula_sum '[Tb12 Te6 Ir4 Se2]'
_cell_volume [659.0547]
_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  0.0178  0.0000  0.2486  1.0
  Tb  Tb1  4  0.1685  0.5000  0.1300  1.0
  Tb  Tb2  4  0.1754  0.5000  0.5657  1.0
  Te  Te3  4  0.1592  0.0000  0.8454  1.0
  Te  Te4  2  0.0000  0.5000  0.5000  1.0
  Ir  Ir5  4  0.1690  0.0000  0.3429  1.0
  Se  Se6  2  0.0000  0.5000  0.0000  1.0
]