data_[Al4Zn4S10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.5764]
_cell_length_b [6.1971]
_cell_length_c [9.9932]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1839]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [Al2Zn2S5]
_chemical_formula_sum '[Al4 Zn4 S10]'
_cell_volume [384.6502]
_cell_formula_units_Z [2]
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
[
  Al  Al0  2  0.1597  0.1220  0.4998  1.0
  Al  Al1  2  0.3718  0.1257  0.8968  1.0
  Zn  Zn2  2  0.0327  0.6195  0.8905  1.0
  Zn  Zn3  2  0.2373  0.6337  0.3064  1.0
  S  S4  2  0.0431  0.0050  0.9013  1.0
  S  S5  2  0.1631  0.4907  0.5029  1.0
  S  S6  2  0.2397  0.0086  0.3090  1.0
  S  S7  2  0.3778  0.4934  0.9060  1.0
  S  S8  2  0.4266  0.0014  0.6981  1.0
]