data_[Pr12Zn2Ir4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Zn  1.6500  1.3500  0.8800
  Ir  2.2000  1.3500  0.7650
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3346]
_cell_length_b [12.7080]
_cell_length_c [8.2052]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3461]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6ZnIr2Br3]
_chemical_formula_sum '[Pr12 Zn2 Ir4 Br6]'
_cell_volume [730.0090]
_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  0.2428  0.1759  0.2015  1
  Pr  Pr1  4  0.2155  0.5000  0.2017  1
  Zn  Zn2  2  0.0000  0.0000  0.0000  1
  Ir  Ir3  4  0.0000  0.3334  0.0000  1
  Br  Br4  4  0.0000  0.1662  0.5000  1
  Br  Br5  2  0.0000  0.5000  0.5000  1
]