data_[Pr12C6S4Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.6412]
_cell_length_b [3.9012]
_cell_length_c [8.1764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7292]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6C3S2Cl]
_chemical_formula_sum '[Pr12 C6 S4 Cl2]'
_cell_volume [538.8985]
_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
[
  Pr  Pr0  4  0.0100  0.0000  0.7199  1.0
  Pr  Pr1  4  0.1611  0.5000  0.5993  1.0
  Pr  Pr2  4  0.1777  0.5000  0.0638  1.0
  C  C3  4  0.1675  0.0000  0.8328  1.0
  C  C4  2  0.0000  0.5000  0.5000  1.0
  S  S5  4  0.1637  0.0000  0.3273  1.0
  Cl  Cl6  2  0.0000  0.5000  0.0000  1.0
]