data_[Ce2Nd2Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Nd  1.1400  1.8500  1.2765
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.5930]
_cell_length_b [4.6917]
_cell_length_c [7.3815]
_cell_angle_alpha [90.4495]
_cell_angle_beta [93.5784]
_cell_angle_gamma [92.8025]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CeNdRu]
_chemical_formula_sum '[Ce2 Nd2 Ru2]'
_cell_volume [158.5530]
_cell_formula_units_Z [2]
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
[
  Ce  Ce0  2  0.2548  0.7622  0.9834  1.0
  Nd  Nd1  2  0.2576  0.2506  0.6199  1.0
  Ru  Ru2  2  0.1522  0.2817  0.2266  1.0
]