data_[Li3Tb3Sc6In12]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0535]
_cell_length_b [5.0535]
_cell_length_c [25.2862]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [LiTb(ScIn2)2]
_chemical_formula_sum '[Li3 Tb3 Sc6 In12]'
_cell_volume [559.2435]
_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  0.5000  1.0
  Tb  Tb1  3  0.0000  0.0000  0.0000  1.0
  Sc  Sc2  6  0.0000  0.0000  0.2480  1.0
  In  In3  6  0.0000  0.0000  0.1284  1.0
  In  In4  6  0.0000  0.0000  0.3799  1.0
]