data_[Pr12As4S6Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  As  2.1800  1.1500  0.6600
  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 [18.3256]
_cell_length_b [4.1898]
_cell_length_c [8.3854]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6504]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6As2S3Cl]
_chemical_formula_sum '[Pr12 As4 S6 Cl2]'
_cell_volume [625.6490]
_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  0.0017  0.0000  0.7259  1.0
  Pr  Pr1  4  0.1668  0.5000  0.5866  1.0
  Pr  Pr2  4  0.1765  0.5000  0.0840  1.0
  As  As3  4  0.1638  0.0000  0.3284  1.0
  S  S4  4  0.1642  0.0000  0.8335  1.0
  S  S5  2  0.0000  0.5000  0.5000  1.0
  Cl  Cl6  2  0.0000  0.5000  0.0000  1.0
]