data_[Pr12Ag2Ir4Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ag  1.9300  1.6000  1.0867
  Ir  2.2000  1.3500  0.7650
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3155]
_cell_length_b [12.7357]
_cell_length_c [7.9448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5929]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6AgIr2Cl3]
_chemical_formula_sum '[Pr12 Ag2 Ir4 Cl6]'
_cell_volume [705.5841]
_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  8  0.2479  0.1786  0.2100  1
  Pr  Pr1  4  0.2107  0.5000  0.2100  1
  Ag  Ag2  2  0.0000  0.0000  0.0000  1
  Ir  Ir3  4  0.0000  0.3336  0.0000  1
  Cl  Cl4  4  0.0000  0.1738  0.5000  1
  Cl  Cl5  2  0.0000  0.5000  0.5000  1
]