data_[La8Ce4Cu4S20]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9957]
_cell_length_b [16.5497]
_cell_length_c [11.9728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2CeCuS5]
_chemical_formula_sum '[La8 Ce4 Cu4 S20]'
_cell_volume [791.7361]
_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  0.1168  0.6919  1.0
  La  La1  4  0.0000  0.1213  0.3471  1.0
  Ce  Ce2  4  0.0000  0.1815  0.0307  1.0
  Cu  Cu3  4  0.0000  0.4515  0.4211  1.0
  S  S4  4  0.0000  0.0138  0.0101  1.0
  S  S5  4  0.0000  0.2997  0.6907  1.0
  S  S6  4  0.0000  0.3160  0.3617  1.0
  S  S7  4  0.0000  0.3465  0.0208  1.0
  S  S8  4  0.0000  0.4913  0.7498  1.0
]