data_[Li4Ce4Nd8Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [Cmc2_1]
_cell_length_a [4.1684]
_cell_length_b [17.4013]
_cell_length_c [12.5931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiCeNd2Se5]
_chemical_formula_sum '[Li4 Ce4 Nd8 Se20]'
_cell_volume [913.4546]
_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
[
  Li  Li0  4  0.0000  0.4855  0.4807  1.0
  Ce  Ce1  4  0.0000  0.1972  0.0018  1.0
  Nd  Nd2  4  0.0000  0.1095  0.6851  1.0
  Nd  Nd3  4  0.0000  0.1235  0.2972  1.0
  Se  Se4  4  0.0000  0.0449  0.0733  1.0
  Se  Se5  4  0.0000  0.2893  0.6652  1.0
  Se  Se6  4  0.0000  0.3095  0.3381  1.0
  Se  Se7  4  0.0000  0.3647  0.9984  1.0
  Se  Se8  4  0.0000  0.4988  0.2842  1.0
]