data_[Ce2Nd10Ru8]
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 [C2/m]
_cell_length_a [16.4979]
_cell_length_b [4.5330]
_cell_length_c [7.0956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7503]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeNd5Ru4]
_chemical_formula_sum '[Ce2 Nd10 Ru8]'
_cell_volume [513.1563]
_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  0.0000  0.5000  0.0000  1.0
  Nd  Nd1  4  0.1671  0.0000  0.0420  1.0
  Nd  Nd2  4  0.1704  0.0000  0.5449  1.0
  Nd  Nd3  2  0.0000  0.5000  0.5000  1.0
  Ru  Ru4  4  0.0075  0.0000  0.2200  1.0
  Ru  Ru5  4  0.1462  0.5000  0.2776  1.0
]