data_[Ba4Zn4Sn8S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [C2/c]
_cell_length_a [14.2122]
_cell_length_b [12.0855]
_cell_length_c [7.0284]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.0403]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaZn(SnS3)2]
_chemical_formula_sum '[Ba4 Zn4 Sn8 S24]'
_cell_volume [1084.6501]
_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  0.3087  0.7500  1.0
  Zn  Zn1  4  0.0000  0.1513  0.2500  1.0
  Sn  Sn2  8  0.2336  0.3981  0.3928  1.0
  S  S3  8  0.0955  0.0810  0.5918  1.0
  S  S4  8  0.1297  0.4790  0.5578  1.0
  S  S5  8  0.1523  0.2250  0.2180  1.0
]