data_[Li3Tb3Sc12Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [R3m]
_cell_length_a [7.9675]
_cell_length_b [7.9675]
_cell_length_c [19.9770]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiTb(ScSe2)4]
_chemical_formula_sum '[Li3 Tb3 Sc12 Se24]'
_cell_volume [1098.2662]
_cell_formula_units_Z [3]
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
[
  Li  Li0  3  0.0000  0.0000  0.3733  1.0
  Tb  Tb1  3  0.0000  0.0000  0.0037  1.0
  Sc  Sc2  9  0.1751  0.3501  0.8311  1.0
  Sc  Sc3  3  0.0000  0.0000  0.6276  1.0
  Se  Se4  9  0.0096  0.5048  0.7567  1.0
  Se  Se5  9  0.1722  0.8278  0.5768  1.0
  Se  Se6  3  0.0000  0.0000  0.2423  1.0
  Se  Se7  3  0.0000  0.0000  0.7591  1.0
]