data_[Pr12Ga12Ru8]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5574]
_cell_length_b [10.4871]
_cell_length_c [14.8026]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr3Ga3Ru2]
_chemical_formula_sum '[Pr12 Ga12 Ru8]'
_cell_volume [707.4718]
_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  0.0000  0.0955  0.6091  1.0
  Pr  Pr1  4  0.0000  0.4068  0.7500  1.0
  Ga  Ga2  8  0.0000  0.3837  0.5426  1.0
  Ga  Ga3  4  0.0000  0.2850  0.2500  1.0
  Ru  Ru4  8  0.0000  0.2120  0.0821  1.0
]