data_[Li4Pr8Sn4S20]
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
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0319]
_cell_length_b [17.3452]
_cell_length_c [11.5154]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiPr2SnS5]
_chemical_formula_sum '[Li4 Pr8 Sn4 S20]'
_cell_volume [805.3216]
_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  0.2284  0.0071  1.0
  Pr  Pr1  4  0.0000  0.1220  0.3019  1.0
  Pr  Pr2  4  0.0000  0.1284  0.6813  1.0
  Sn  Sn3  4  0.0000  0.4156  0.4810  1.0
  S  S4  4  0.0000  0.0286  0.0868  1.0
  S  S5  4  0.0000  0.2968  0.3341  1.0
  S  S6  4  0.0000  0.3037  0.6517  1.0
  S  S7  4  0.0000  0.3628  0.9951  1.0
  S  S8  4  0.0000  0.4886  0.2849  1.0
]