data_[Ce4Pr4S14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Imm2]
_cell_length_a [4.0574]
_cell_length_b [14.2228]
_cell_length_c [8.7894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Ce2Pr2S7]
_chemical_formula_sum '[Ce4 Pr4 S14]'
_cell_volume [507.2243]
_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
[
  Ce  Ce0  4  0.0000  0.2401  0.5809  1.0
  Pr  Pr1  2  0.0000  0.0000  0.8344  1.0
  Pr  Pr2  2  0.0000  0.5000  0.7897  1.0
  S  S3  4  0.0000  0.1152  0.1103  1.0
  S  S4  4  0.0000  0.3103  0.8905  1.0
  S  S5  4  0.0000  0.3575  0.2764  1.0
  S  S6  2  0.0000  0.0000  0.5135  1.0
]