data_[Ce4Nd4Se14]
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 [Imm2]
_cell_length_a [4.1702]
_cell_length_b [14.8193]
_cell_length_c [9.1928]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Ce2Nd2Se7]
_chemical_formula_sum '[Ce4 Nd4 Se14]'
_cell_volume [568.1189]
_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  0.0000  0.2603  0.4133  1.0
  Nd  Nd1  2  0.0000  0.0000  0.2163  1.0
  Nd  Nd2  2  0.0000  0.5000  0.1687  1.0
  Se  Se3  4  0.0000  0.1420  0.7219  1.0
  Se  Se4  4  0.0000  0.1865  0.1086  1.0
  Se  Se5  4  0.0000  0.3867  0.8925  1.0
  Se  Se6  2  0.0000  0.5000  0.4884  1.0
]