data_[Zr4Ag8Se4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.6736]
_cell_length_b [3.9361]
_cell_length_c [7.2427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8753]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrAg2SeS2]
_chemical_formula_sum '[Zr4 Ag8 Se4 S8]'
_cell_volume [560.7911]
_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
[
  Zr  Zr0  4  0.1462  0.0000  0.5629  1
  Ag  Ag1  4  0.0264  0.5000  0.6855  1
  Ag  Ag2  4  0.1969  0.0000  0.9850  1
  Se  Se3  4  0.2396  0.5000  0.6957  1
  S  S4  4  0.0802  0.0000  0.8471  1
  S  S5  4  0.1019  0.5000  0.3683  1
]