data_[Ce2Nd2Ru2I2]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.1099]
_cell_length_b [4.0971]
_cell_length_c [8.5538]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4754]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CeNdRuI]
_chemical_formula_sum '[Ce2 Nd2 Ru2 I2]'
_cell_volume [237.6733]
_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  0.0732  0.0000  0.9570  1.0
  Nd  Nd1  2  0.3455  0.5000  0.3281  1.0
  Ru  Ru2  2  0.4290  0.0000  0.1075  1.0
  I  I3  2  0.1231  0.5000  0.6377  1.0
]