data_[Tb2Sc8Se10]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.9149]
_cell_length_b [5.5507]
_cell_length_c [19.6520]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [TbSc4Se5]
_chemical_formula_sum '[Tb2 Sc8 Se10]'
_cell_volume [427.0506]
_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
  Sc  Sc1  4  0.0000  0.0000  0.2036  1
  Sc  Sc2  4  0.0000  0.0000  0.4004  1
  Se  Se3  4  0.0000  0.5000  0.1984  1
  Se  Se4  4  0.0000  0.5000  0.3932  1
  Se  Se5  2  0.0000  0.5000  0.0000  1
]