data_[Pr12Ni4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ni  1.9100  1.3500  0.7400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4196]
_cell_length_b [4.0756]
_cell_length_c [8.1697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.8368]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3NiRu]
_chemical_formula_sum '[Pr12 Ni4 Ru4]'
_cell_volume [512.2636]
_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  4  0.0558  0.5000  0.8261  1.0
  Pr  Pr1  4  0.1043  0.0000  0.4348  1.0
  Pr  Pr2  4  0.2336  0.5000  0.1824  1.0
  Ni  Ni3  4  0.2124  0.5000  0.5631  1.0
  Ru  Ru4  4  0.1018  0.0000  0.0646  1.0
]