data_[Li3Ce9Pr9S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ce  1.1200  1.8500  1.0800
  Pr  1.1300  1.8500  1.0600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.0581]
_cell_length_b [8.0581]
_cell_length_c [19.8564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [LiCe3Pr3S8]
_chemical_formula_sum '[Li3 Ce9 Pr9 S24]'
_cell_volume [1116.6043]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1.0
  Ce  Ce1  9  0.0000  0.5000  0.0000  1.0
  Pr  Pr2  9  0.0000  0.5000  0.5000  1.0
  S  S3  18  0.0061  0.5030  0.7456  1.0
  S  S4  6  0.0000  0.0000  0.2518  1.0
]