data_[Zr4Tl4Ag4Te4S8]
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
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8515]
_cell_length_b [15.3739]
_cell_length_c [10.8156]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [ZrTlAgTeS2]
_chemical_formula_sum '[Zr4 Tl4 Ag4 Te4 S8]'
_cell_volume [640.4286]
_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  0.0000  0.0000  0.0000  1
  Tl  Tl1  4  0.0000  0.2222  0.7500  1
  Ag  Ag2  4  0.0000  0.4592  0.2500  1
  Te  Te3  4  0.0000  0.0914  0.2500  1
  S  S4  8  0.0000  0.3888  0.0438  1
]