data_[Zr2Tl2Ag2Te6]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6632]
_cell_length_b [4.1764]
_cell_length_c [10.7676]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9117]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ZrTlAgTe3]
_chemical_formula_sum '[Zr2 Tl2 Ag2 Te6]'
_cell_volume [366.2924]
_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  0.2064  0.7500  0.6722  1
  Tl  Tl1  2  0.2279  0.2500  0.2100  1
  Ag  Ag2  2  0.4260  0.2500  0.8959  1
  Te  Te3  2  0.0531  0.7500  0.3763  1
  Te  Te4  2  0.2254  0.7500  0.9418  1
  Te  Te5  2  0.4255  0.2500  0.6368  1
]