data_[Pr6Ir2I2Cl2]
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
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.7766]
_cell_length_b [4.1838]
_cell_length_c [9.9788]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5106]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr3IrICl]
_chemical_formula_sum '[Pr6 Ir2 I2 Cl2]'
_cell_volume [407.4045]
_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  0.1771  0.7500  0.8553  1
  Pr  Pr1  2  0.3476  0.2500  0.5734  1
  Pr  Pr2  2  0.4221  0.2500  0.1480  1
  Ir  Ir3  2  0.3737  0.2500  0.8527  1
  I  I4  2  0.1138  0.7500  0.1750  1
  Cl  Cl5  2  0.1400  0.7500  0.5673  1
]