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 [P1]
_cell_length_a [4.8688]
_cell_length_b [6.4691]
_cell_length_c [9.1396]
_cell_angle_alpha [75.4823]
_cell_angle_beta [75.5585]
_cell_angle_gamma [69.7603]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TlAgTe2]
_chemical_formula_sum '[Tl2 Ag2 Te4]'
_cell_volume [257.2399]
_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  1  0.7273  0.6394  0.5878  1.0
  Tl  Tl1  1  0.7505  0.1525  0.0131  1.0
  Ag  Ag2  1  0.0125  0.9583  0.6853  1.0
  Ag  Ag3  1  0.6466  0.3428  0.3254  1.0
  Te  Te4  1  0.1290  0.6289  0.2251  1.0
  Te  Te5  1  0.1552  0.5251  0.8863  1.0
  Te  Te6  1  0.1714  0.9907  0.3425  1.0
  Te  Te7  1  0.3987  0.2194  0.6655  1.0
]