data_[La2Ce6Nd4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  Nd  1.1400  1.8500  1.2765
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3380]
_cell_length_b [12.7125]
_cell_length_c [7.3599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5155]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaCe3(NdSe3)2]
_chemical_formula_sum '[La2 Ce6 Nd4 Se12]'
_cell_volume [647.1220]
_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
[
  La  La0  2  0.0000  0.0000  0.0000  1.0
  Ce  Ce1  4  0.0000  0.1659  0.5000  1.0
  Ce  Ce2  2  0.0000  0.5000  0.5000  1.0
  Nd  Nd3  4  0.0000  0.3330  0.0000  1.0
  Se  Se4  8  0.2476  0.3321  0.7464  1.0
  Se  Se5  4  0.2479  0.5000  0.2524  1.0
]