data_[Pr16Mg4Ru4]
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 [Immm]
_cell_length_a [6.2013]
_cell_length_b [7.6439]
_cell_length_c [15.7538]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pr4MgRu]
_chemical_formula_sum '[Pr16 Mg4 Ru4]'
_cell_volume [746.7655]
_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  0.2446  0.3818  1
  Pr  Pr1  4  0.0000  0.2075  0.0000  1
  Pr  Pr2  4  0.0000  0.5000  0.1799  1
  Mg  Mg3  4  0.0000  0.0000  0.1960  1
  Ru  Ru4  4  0.2405  0.0000  0.5000  1
]