data_[Li3Tb3In12S24]
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
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.7720]
_cell_length_b [7.7720]
_cell_length_c [19.1046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiTb(InS2)4]
_chemical_formula_sum '[Li3 Tb3 In12 S24]'
_cell_volume [999.3939]
_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  0.6245  1.0
  Tb  Tb1  3  0.0000  0.0000  0.9919  1.0
  In  In2  9  0.0172  0.5086  0.5028  1.0
  In  In3  3  0.0000  0.0000  0.3775  1.0
  S  S4  9  0.0200  0.5100  0.7547  1.0
  S  S5  9  0.1694  0.3389  0.5783  1.0
  S  S6  3  0.0000  0.0000  0.2414  1.0
  S  S7  3  0.0000  0.0000  0.7572  1.0
]