data_[Sr8Ti4Zn4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ti  1.5400  1.4000  0.8517
  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 [3.8343]
_cell_length_b [17.2514]
_cell_length_c [12.1518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2TiZnS5]
_chemical_formula_sum '[Sr8 Ti4 Zn4 S20]'
_cell_volume [803.8066]
_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
[
  Sr  Sr0  4  0.0000  0.1105  0.6858  1.0
  Sr  Sr1  4  0.0000  0.1273  0.3060  1.0
  Ti  Ti2  4  0.0000  0.2143  0.0173  1.0
  Zn  Zn3  4  0.0000  0.4393  0.4473  1.0
  S  S4  4  0.0000  0.0690  0.0535  1.0
  S  S5  4  0.0000  0.2827  0.6505  1.0
  S  S6  4  0.0000  0.3006  0.3794  1.0
  S  S7  4  0.0000  0.3501  0.0026  1.0
  S  S8  4  0.0000  0.4993  0.2816  1.0
]