data_[La8Zn4Sn4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Zn  1.6500  1.3500  0.8800
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0234]
_cell_length_b [17.6784]
_cell_length_c [11.7678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2ZnSnS5]
_chemical_formula_sum '[La8 Zn4 Sn4 S20]'
_cell_volume [837.0198]
_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  0.1088  0.6859  1.0
  La  La1  4  0.0000  0.1244  0.3056  1.0
  Zn  Zn2  4  0.0000  0.4473  0.4542  1.0
  Sn  Sn3  4  0.0000  0.2059  0.0135  1.0
  S  S4  4  0.0000  0.0421  0.0581  1.0
  S  S5  4  0.0000  0.2866  0.6846  1.0
  S  S6  4  0.0000  0.3262  0.3449  1.0
  S  S7  4  0.0000  0.3635  0.0013  1.0
  S  S8  4  0.0000  0.4939  0.7758  1.0
]