data_[Li4Tb4Pr8S20]
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 [Cmc2_1]
_cell_length_a [4.0088]
_cell_length_b [16.6056]
_cell_length_c [11.9652]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiTbPr2S5]
_chemical_formula_sum '[Li4 Tb4 Pr8 S20]'
_cell_volume [796.5020]
_cell_formula_units_Z [4]
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  0.4861  0.4822  1.0
  Tb  Tb1  4  0.0000  0.1974  0.0019  1.0
  Pr  Pr2  4  0.0000  0.1086  0.6852  1.0
  Pr  Pr3  4  0.0000  0.1240  0.2978  1.0
  S  S4  4  0.0000  0.0465  0.0697  1.0
  S  S5  4  0.0000  0.2875  0.6597  1.0
  S  S6  4  0.0000  0.3075  0.3445  1.0
  S  S7  4  0.0000  0.3627  0.9985  1.0
  S  S8  4  0.0000  0.4991  0.2844  1.0
]