data_[Ba8La4Zn4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  La  1.1000  1.9500  1.1720
  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 [4.2902]
_cell_length_b [17.4714]
_cell_length_c [13.2597]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2LaZnS5]
_chemical_formula_sum '[Ba8 La4 Zn4 S20]'
_cell_volume [993.8969]
_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
[
  Ba  Ba0  4  0.0000  0.1104  0.6876  1
  Ba  Ba1  4  0.0000  0.1388  0.3556  1
  La  La2  4  0.0000  0.1734  0.0297  1
  Zn  Zn3  4  0.0000  0.4676  0.4164  1
  S  S4  4  0.0000  0.0097  0.9974  1
  S  S5  4  0.0000  0.3210  0.6789  1
  S  S6  4  0.0000  0.3314  0.0285  1
  S  S7  4  0.0000  0.3329  0.3756  1
  S  S8  4  0.0000  0.4782  0.7543  1
]