data_[La8In4Cu4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  In  1.7800  1.5500  0.9400
  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 [3.9742]
_cell_length_b [16.7658]
_cell_length_c [11.7543]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2InCuS5]
_chemical_formula_sum '[La8 In4 Cu4 S20]'
_cell_volume [783.1993]
_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  0.3774  0.8025  1.0
  La  La1  4  0.0000  0.3888  0.1874  1.0
  In  In2  4  0.0000  0.3082  0.5024  1.0
  Cu  Cu3  4  0.0000  0.0018  0.4813  1.0
  S  S4  4  0.0000  0.0018  0.7860  1.0
  S  S5  4  0.0000  0.1468  0.5000  1.0
  S  S6  4  0.0000  0.1986  0.8482  1.0
  S  S7  4  0.0000  0.2101  0.1589  1.0
  S  S8  4  0.0000  0.4583  0.5572  1.0
]