data_[Li6Tb2Bi4S12]
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
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8751]
_cell_length_b [11.9268]
_cell_length_c [6.6789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0427]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Tb(BiS3)2]
_chemical_formula_sum '[Li6 Tb2 Bi4 S12]'
_cell_volume [514.4920]
_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
[
  Li  Li0  4  0.0000  0.1766  0.5000  1.0
  Li  Li1  2  0.0000  0.5000  0.5000  1.0
  Tb  Tb2  2  0.0000  0.0000  0.0000  1.0
  Bi  Bi3  4  0.0000  0.3344  0.0000  1.0
  S  S4  8  0.2495  0.1633  0.2587  1.0
  S  S5  4  0.2421  0.0000  0.7427  1.0
]