data_[Zn2Ag4As2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.8068]
_cell_length_b [5.8068]
_cell_length_c [10.8855]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [ZnAg2AsS4]
_chemical_formula_sum '[Zn2 Ag4 As2 S8]'
_cell_volume [367.0418]
_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
[
  Zn  Zn0  2  0.0000  0.0000  0.0000  1.0
  Ag  Ag1  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag2  2  0.0000  0.5000  0.2500  1.0
  As  As3  2  0.0000  0.5000  0.7500  1.0
  S  S4  8  0.2231  0.7504  0.8759  1.0
]