data_[Pr24As12S9Cl3]
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 [R-3m]
_cell_length_a [8.4639]
_cell_length_b [8.4639]
_cell_length_c [20.5721]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr8As4S3Cl]
_chemical_formula_sum '[Pr24 As12 S9 Cl3]'
_cell_volume [1276.2878]
_cell_formula_units_Z [3]
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  18  0.0090  0.5045  0.7487  1.0
  Pr  Pr1  6  0.0000  0.0000  0.2490  1.0
  As  As2  9  0.0000  0.5000  0.0000  1.0
  As  As3  3  0.0000  0.0000  0.0000  1.0
  S  S4  9  0.0000  0.5000  0.5000  1.0
  Cl  Cl5  3  -0.0000  -0.0000  0.5000  1.0
]