data_[Pr12Ga4I8]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [13.2428]
_cell_length_b [10.7717]
_cell_length_c [6.2001]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr3GaI2]
_chemical_formula_sum '[Pr12 Ga4 I8]'
_cell_volume [884.4334]
_cell_formula_units_Z [4]
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  0.1718  0.3159  0.2500  1
  Pr  Pr1  4  0.0000  0.1308  0.7500  1
  Ga  Ga2  4  0.0000  0.1491  0.2500  1
  I  I3  8  0.1481  0.3765  0.7500  1
]