data_[Tb12In2Si4Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  In  1.7800  1.5500  0.9400
  Si  1.9000  1.1000  0.5400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3898]
_cell_length_b [4.1485]
_cell_length_c [8.4258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6443]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6InSi2Se3]
_chemical_formula_sum '[Tb12 In2 Si4 Se6]'
_cell_volume [615.8639]
_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  0.0003  0.0000  0.2652  1.0
  Tb  Tb1  4  0.1717  0.5000  0.5684  1.0
  Tb  Tb2  4  0.1719  0.5000  0.0908  1.0
  In  In3  2  0.0000  0.5000  0.0000  1.0
  Si  Si4  4  0.1637  0.0000  0.3242  1.0
  Se  Se5  4  0.1666  0.0000  0.8272  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]