data_[La8Al4Cu4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Al  1.6100  1.2500  0.6750
  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 [3.9924]
_cell_length_b [17.1978]
_cell_length_c [11.1302]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2AlCuS5]
_chemical_formula_sum '[La8 Al4 Cu4 S20]'
_cell_volume [764.2133]
_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  0.1129  0.6791  1.0
  La  La1  4  0.0000  0.1197  0.2990  1.0
  Al  Al2  4  0.0000  0.4057  0.4668  1.0
  Cu  Cu3  4  0.0000  0.2461  0.0932  1.0
  S  S4  4  0.0000  0.0417  0.0436  1.0
  S  S5  4  0.0000  0.3063  0.3273  1.0
  S  S6  4  0.0000  0.3114  0.6328  1.0
  S  S7  4  0.0000  0.3581  0.9919  1.0
  S  S8  4  0.0000  0.4922  0.2904  1.0
]