data_[La8Ce8Se6]
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 [Amm2]
_cell_length_a [10.3426]
_cell_length_b [3.7184]
_cell_length_c [18.1382]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [La4Ce4Se3]
_chemical_formula_sum '[La8 Ce8 Se6]'
_cell_volume [697.5530]
_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  0.2636  0.0000  0.2356  1
  La  La1  2  0.0000  0.0000  0.0933  1
  La  La2  2  0.5000  0.0000  0.0855  1
  Ce  Ce3  4  0.2318  0.0000  0.9462  1
  Ce  Ce4  2  0.0000  0.0000  0.3479  1
  Ce  Ce5  2  0.5000  0.0000  0.3813  1
  Se  Se6  4  0.2408  0.0000  0.5947  1
  Se  Se7  2  0.5000  0.0000  0.7338  1
]