data_[La2Ce6Se6O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.5440]
_cell_length_b [4.0937]
_cell_length_c [13.1685]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [LaCe3Se3O4]
_chemical_formula_sum '[La2 Ce6 Se6 O8]'
_cell_volume [460.5895]
_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  0.9813  1
  Ce  Ce1  4  0.2630  0.0000  0.3131  1
  Ce  Ce2  2  0.5000  0.0000  0.9993  1
  Se  Se3  4  0.1477  0.0000  0.6429  1
  Se  Se4  2  0.5000  0.0000  0.6865  1
  O  O5  4  0.2552  0.0000  0.9106  1
  O  O6  2  0.0000  0.0000  0.3838  1
  O  O7  2  0.5000  0.0000  0.4110  1
]