data_[Pr12Ga2Rh4I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ga  1.8100  1.3000  0.7600
  Rh  2.2800  1.3500  0.7450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4253]
_cell_length_b [12.8722]
_cell_length_c [8.4590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0782]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6GaRh2I3]
_chemical_formula_sum '[Pr12 Ga2 Rh4 I6]'
_cell_volume [772.8628]
_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  0.2369  0.8253  0.1903  1.0
  Pr  Pr1  4  0.2141  0.5000  0.1894  1.0
  Ga  Ga2  2  0.0000  0.0000  0.0000  1.0
  Rh  Rh3  4  0.0000  0.3331  0.0000  1.0
  I  I4  4  0.0000  0.1625  0.5000  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]