data_[Zr2Tl2Ag2Te2S4]
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 [P2_1/m]
_cell_length_a [8.3181]
_cell_length_b [3.9868]
_cell_length_c [10.1154]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5403]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ZrTlAgTeS2]
_chemical_formula_sum '[Zr2 Tl2 Ag2 Te2 S4]'
_cell_volume [312.0235]
_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  0.1754  0.2500  0.1598  1
  Tl  Tl1  2  0.2233  0.7500  0.6904  1
  Ag  Ag2  2  0.4246  0.7500  0.3932  1
  Te  Te3  2  0.4212  0.7500  0.1220  1
  S  S4  2  0.0359  0.2500  0.8731  1
  S  S5  2  0.2364  0.2500  0.4243  1
]