data_[Pr24Mg8Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mg  1.3100  1.5000  0.8600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.7996]
_cell_length_b [10.3580]
_cell_length_c [16.2678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Pr3MgRu]
_chemical_formula_sum '[Pr24 Mg8 Ru8]'
_cell_volume [1145.7478]
_cell_formula_units_Z [8]
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  16  0.0000  0.1966  0.3896  1.0
  Pr  Pr1  8  0.0000  0.0000  0.2035  1.0
  Mg  Mg2  8  0.2055  0.0000  0.0000  1.0
  Ru  Ru3  8  0.2500  0.2500  0.2500  1.0
]