data_[Tl2Ag2Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P-1]
_cell_length_a [4.8153]
_cell_length_b [6.9228]
_cell_length_c [8.1073]
_cell_angle_alpha [93.4158]
_cell_angle_beta [97.9270]
_cell_angle_gamma [99.1564]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlAgTe2]
_chemical_formula_sum '[Tl2 Ag2 Te4]'
_cell_volume [263.3448]
_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
[
  Tl  Tl0  2  0.2415  0.8650  0.1600  1.0
  Ag  Ag1  2  0.0455  0.5659  0.6771  1.0
  Te  Te2  2  0.1897  0.1830  0.5445  1.0
  Te  Te3  2  0.4142  0.3845  0.1330  1.0
]