data_[Zr2Tl4Ag4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9644]
_cell_length_b [3.9302]
_cell_length_c [7.7748]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6253]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrTl2(AgS2)2]
_chemical_formula_sum '[Zr2 Tl4 Ag4 S8]'
_cell_volume [425.0737]
_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
[
  Zr  Zr0  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.1414  0.0000  0.5699  1.0
  Ag  Ag2  4  0.1753  0.5000  0.9637  1.0
  S  S3  4  0.0005  0.5000  0.7718  1.0
  S  S4  4  0.1880  0.0000  0.1927  1.0
]