data_[Li3Tb12Tm3S24]
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
  Tm  1.2500  1.7500  1.0950
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.0407]
_cell_length_b [8.0407]
_cell_length_c [19.5372]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiTb4TmS8]
_chemical_formula_sum '[Li3 Tb12 Tm3 S24]'
_cell_volume [1093.8955]
_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  0.3747  1.0
  Tb  Tb1  9  0.1726  0.3453  0.8318  1.0
  Tb  Tb2  3  0.0000  0.0000  0.6242  1.0
  Tm  Tm3  3  0.0000  0.0000  0.0048  1.0
  S  S4  9  0.0196  0.5098  0.7509  1.0
  S  S5  9  0.1796  0.3592  0.5820  1.0
  S  S6  3  0.0000  0.0000  0.2439  1.0
  S  S7  3  0.0000  0.0000  0.7583  1.0
]