data_[Pr6Ir2S2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ir  2.2000  1.3500  0.7650
  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 [8.5605]
_cell_length_b [4.0814]
_cell_length_c [10.5852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2509]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr3IrSCl]
_chemical_formula_sum '[Pr6 Ir2 S2 Cl2]'
_cell_volume [369.7475]
_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  0.1387  0.7500  0.8667  1
  Pr  Pr1  2  0.3477  0.2500  0.5945  1
  Pr  Pr2  2  0.3738  0.2500  0.1362  1
  Ir  Ir3  2  0.3802  0.2500  0.8572  1
  S  S4  2  0.1145  0.7500  0.1388  1
  Cl  Cl5  2  0.1153  0.7500  0.5907  1
]