data_[Pr4Ir1I2Cl1]
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/m]
_cell_length_a [7.5746]
_cell_length_b [4.2164]
_cell_length_c [8.3821]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4608]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pr4IrI2Cl]
_chemical_formula_sum '[Pr4 Ir1 I2 Cl1]'
_cell_volume [255.3694]
_cell_formula_units_Z [1]
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  0.2477  0.5000  0.1930  1
  Pr  Pr1  2  0.2949  0.0000  0.8045  1
  Ir  Ir2  1  0.5000  0.5000  0.0000  1
  I  I3  1  0.0000  0.5000  0.5000  1
  I  I4  1  0.5000  0.0000  0.5000  1
  Cl  Cl5  1  0.0000  0.0000  0.0000  1
]