data_[La8Sc4Zn4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8983]
_cell_length_b [16.8765]
_cell_length_c [11.8358]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2ScZnS5]
_chemical_formula_sum '[La8 Sc4 Zn4 S20]'
_cell_volume [778.6662]
_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  0.1176  0.6882  1.0
  La  La1  4  0.0000  0.1328  0.3117  1.0
  Sc  Sc2  4  0.0000  0.2014  0.0151  1.0
  Zn  Zn3  4  0.0000  0.4479  0.4498  1.0
  S  S4  4  0.0000  0.0485  0.0543  1.0
  S  S5  4  0.0000  0.2906  0.6632  1.0
  S  S6  4  0.0000  0.3110  0.3638  1.0
  S  S7  4  0.0000  0.3535  0.0039  1.0
  S  S8  4  0.0000  0.4962  0.7741  1.0
]