data_[Li2Tb6Pr4S12]
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
  Pr  1.1300  1.8500  1.0600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8628]
_cell_length_b [11.9521]
_cell_length_c [6.8996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3551]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiTb3(PrS3)2]
_chemical_formula_sum '[Li2 Tb6 Pr4 S12]'
_cell_volume [533.9489]
_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  2  0.0000  0.0000  0.0000  1.0
  Tb  Tb1  4  0.0000  0.1671  0.5000  1.0
  Tb  Tb2  2  0.0000  0.5000  0.5000  1.0
  Pr  Pr3  4  0.0000  0.3333  0.0000  1.0
  S  S4  8  0.2465  0.1608  0.2582  1.0
  S  S5  4  0.2338  0.0000  0.7454  1.0
]