data_[La8Ce4Cu4Se20]
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
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1491]
_cell_length_b [17.5557]
_cell_length_c [12.7459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2CeCuSe5]
_chemical_formula_sum '[La8 Ce4 Cu4 Se20]'
_cell_volume [928.4074]
_cell_formula_units_Z [4]
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  0.0000  0.1154  0.3474  1.0
  La  La1  4  0.0000  0.1171  0.6945  1.0
  Ce  Ce2  4  0.0000  0.1797  0.0268  1.0
  Cu  Cu3  4  0.0000  0.4483  0.4214  1.0
  Se  Se4  4  0.0000  0.0155  0.0144  1.0
  Se  Se5  4  0.0000  0.3016  0.6914  1.0
  Se  Se6  4  0.0000  0.3133  0.3593  1.0
  Se  Se7  4  0.0000  0.3464  0.0202  1.0
  Se  Se8  4  0.0000  0.4934  0.7486  1.0
]