data_[Na6Ce2Pr4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [7.2095]
_cell_length_b [12.4886]
_cell_length_c [7.1082]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7524]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Ce(PrS3)2]
_chemical_formula_sum '[Na6 Ce2 Pr4 S12]'
_cell_volume [602.3382]
_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
[
  Na  Na0  4  0.0000  0.1668  0.5000  1.0
  Na  Na1  2  0.0000  0.5000  0.5000  1.0
  Ce  Ce2  2  0.0000  0.0000  0.0000  1.0
  Pr  Pr3  4  0.0000  0.3334  0.0000  1.0
  S  S4  8  0.2437  0.1657  0.2343  1.0
  S  S5  4  0.2466  0.5000  0.2337  1.0
]