data_[Ag6Sn2Bi4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.8290]
_cell_length_b [4.3736]
_cell_length_c [8.7677]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8671]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ag3Sn(BiTe3)2]
_chemical_formula_sum '[Ag6 Sn2 Bi4 Te12]'
_cell_volume [706.5971]
_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
[
  Ag  Ag0  4  0.1681  0.0000  0.8351  1.0
  Ag  Ag1  2  0.0000  0.5000  0.5000  1.0
  Sn  Sn2  2  0.0000  0.5000  0.0000  1.0
  Bi  Bi3  4  0.1664  0.0000  0.3331  1.0
  Te  Te4  4  0.0062  0.0000  0.7431  1.0
  Te  Te5  4  0.1632  0.5000  0.5935  1.0
  Te  Te6  4  0.1703  0.5000  0.0754  1.0
]