data_[Pr12S18Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [7.5455]
_cell_length_b [7.5455]
_cell_length_c [19.1887]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [Pr2S3Cl]
_chemical_formula_sum '[Pr12 S18 Cl6]'
_cell_volume [946.1421]
_cell_formula_units_Z [6]
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
[
  Pr  Pr0  12  0.0000  0.0000  0.1443  1
  S  S1  18  0.0000  0.2762  0.2500  1
  Cl  Cl2  6  0.0000  0.0000  0.0000  1
]