data_[Li2Ce4Pr6S12]
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 [C2/m]
_cell_length_a [7.0050]
_cell_length_b [12.1548]
_cell_length_c [7.0233]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5951]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiCe2(PrS2)3]
_chemical_formula_sum '[Li2 Ce4 Pr6 S12]'
_cell_volume [563.3672]
_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
  Ce  Ce1  4  0.0000  0.3343  0.0000  1.0
  Pr  Pr2  4  0.0000  0.1657  0.5000  1.0
  Pr  Pr3  2  0.0000  0.5000  0.5000  1.0
  S  S4  8  0.2427  0.1635  0.2390  1.0
  S  S5  4  0.2464  0.0000  0.7622  1.0
]