data_[Pr8Ga16Ru12]
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 [Cmce]
_cell_length_a [6.0327]
_cell_length_b [14.9647]
_cell_length_c [7.5271]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Pr2Ga4Ru3]
_chemical_formula_sum '[Pr8 Ga16 Ru12]'
_cell_volume [679.5309]
_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  0.1205  0.4083  1.0
  Ga  Ga1  8  0.0000  0.1791  0.0140  1.0
  Ga  Ga2  8  0.2500  0.0543  0.7500  1.0
  Ru  Ru3  8  0.2500  0.2274  0.7500  1.0
  Ru  Ru4  4  0.0000  0.0000  0.0000  1.0
]