data_[Tl4Ag4Bi8Te16]
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
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5496]
_cell_length_b [14.9083]
_cell_length_c [16.2422]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [TlAg(BiTe2)2]
_chemical_formula_sum '[Tl4 Ag4 Bi8 Te16]'
_cell_volume [1101.6569]
_cell_formula_units_Z [4]
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  4  0.0000  0.1234  0.7500  1.0
  Ag  Ag1  4  0.0000  0.1523  0.2500  1.0
  Bi  Bi2  8  0.0000  0.3662  0.5676  1.0
  Te  Te3  8  0.0000  0.2724  0.1089  1.0
  Te  Te4  4  0.0000  0.0000  0.0000  1.0
  Te  Te5  4  0.0000  0.4551  0.7500  1.0
]