data_[Tb2Sc4In6Se12]
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
  In  1.7800  1.5500  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9670]
_cell_length_b [12.0442]
_cell_length_c [8.0378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7356]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbSc2(InSe2)3]
_chemical_formula_sum '[Tb2 Sc4 In6 Se12]'
_cell_volume [645.8950]
_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  1.0
  Sc  Sc1  4  0.0000  0.3331  0.0000  1.0
  In  In2  4  0.0000  0.1620  0.5000  1.0
  In  In3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  8  0.2416  0.1737  0.2045  1.0
  Se  Se5  4  0.2191  0.5000  0.1998  1.0
]