data_[La4Ce6Se16]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9722]
_cell_length_b [8.5775]
_cell_length_c [7.2154]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3562]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Ce3Se8]
_chemical_formula_sum '[La4 Ce6 Se16]'
_cell_volume [874.2478]
_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  4  0.2345  0.5000  0.6600  1.0
  Ce  Ce1  4  0.0000  0.2602  0.0000  1.0
  Ce  Ce2  2  0.0000  0.0000  0.5000  1.0
  Se  Se3  8  0.1244  0.2290  0.4119  1.0
  Se  Se4  4  0.1129  0.5000  0.9094  1.0
  Se  Se5  4  0.1139  0.0000  0.9251  1.0
]