data_[Ce4Nd6Se16]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9984]
_cell_length_b [8.4422]
_cell_length_c [7.1371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7811]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2Nd3Se8]
_chemical_formula_sum '[Ce4 Nd6 Se16]'
_cell_volume [850.3739]
_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  4  0.2394  0.5000  0.6646  1.0
  Nd  Nd1  4  0.0000  0.2615  0.0000  1.0
  Nd  Nd2  2  0.0000  0.0000  0.5000  1.0
  Se  Se3  8  0.1281  0.2319  0.4162  1.0
  Se  Se4  4  0.1099  0.5000  0.8778  1.0
  Se  Se5  4  0.1201  0.0000  0.9297  1.0
]