data_[Tl4Ag2Ge2Te8]
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
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.9628]
_cell_length_b [8.5112]
_cell_length_c [7.8972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.5075]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Tl2AgGeTe4]
_chemical_formula_sum '[Tl4 Ag2 Ge2 Te8]'
_cell_volume [543.2017]
_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  0.0000  0.4095  0.0000  1.0
  Tl  Tl1  2  0.0000  0.7828  0.5000  1.0
  Ag  Ag2  2  0.0000  0.0121  0.0000  1.0
  Ge  Ge3  2  0.0000  0.2757  0.5000  1.0
  Te  Te4  4  0.1835  0.1174  0.8928  1.0
  Te  Te5  4  0.2184  0.4482  0.5415  1.0
]