data_[Pr6As2S2Cl2]
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 [P2_1/m]
_cell_length_a [8.3788]
_cell_length_b [4.0684]
_cell_length_c [10.3421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1577]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr3AsSCl]
_chemical_formula_sum '[Pr6 As2 S2 Cl2]'
_cell_volume [333.0231]
_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  2  0.0922  0.7500  0.8876  1
  Pr  Pr1  2  0.2729  0.2500  0.4464  1
  Pr  Pr2  2  0.4683  0.2500  0.1768  1
  As  As3  2  0.1985  0.7500  0.2038  1
  S  S4  2  0.3266  0.2500  0.8871  1
  Cl  Cl5  2  0.1640  0.7500  0.6029  1
]