data_[Pr12Ir4Pt2Br4]
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
  Pt  2.2800  1.3500  0.8050
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3805]
_cell_length_b [12.7021]
_cell_length_c [7.9132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9172]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Ir2PtBr2]
_chemical_formula_sum '[Pr12 Ir4 Pt2 Br4]'
_cell_volume [705.8660]
_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  0.2413  0.1678  0.7038  1.0
  Pr  Pr1  4  0.2212  0.5000  0.6977  1.0
  Ir  Ir2  4  0.0000  0.3297  0.5000  1.0
  Pt  Pt3  2  0.0000  0.0000  0.5000  1.0
  Br  Br4  4  0.0000  0.1658  0.0000  1.0
]