data_[Li4Pr8Al4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pr  1.1300  1.8500  1.0600
  Al  1.6100  1.2500  0.6750
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9017]
_cell_length_b [16.9864]
_cell_length_c [11.4087]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiPr2AlS5]
_chemical_formula_sum '[Li4 Pr8 Al4 S20]'
_cell_volume [756.1220]
_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  0.2147  0.0192  1
  Pr  Pr1  4  0.0000  0.1221  0.6835  1
  Pr  Pr2  4  0.0000  0.1319  0.3049  1
  Al  Al3  4  0.0000  0.4301  0.4547  1
  S  S4  4  0.0000  0.0447  0.0562  1
  S  S5  4  0.0000  0.2939  0.6649  1
  S  S6  4  0.0000  0.3141  0.3575  1
  S  S7  4  0.0000  0.3577  0.0003  1
  S  S8  4  0.0000  0.4981  0.2828  1
]