data_[Bi2Te4Pb4Au2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [4.1814]
_cell_length_b [9.6665]
_cell_length_c [12.2989]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [BiTe2Pb2AuS3]
_chemical_formula_sum '[Bi2 Te4 Pb4 Au2 S6]'
_cell_volume [497.1209]
_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
[
  Bi  Bi0  2  0.0000  0.3353  0.4215  1.0
  Te  Te1  2  0.0000  0.0084  0.8945  1.0
  Te  Te2  2  0.0000  0.0085  0.6045  1.0
  Pb  Pb3  2  0.0000  0.3192  0.0786  1.0
  Pb  Pb4  2  0.0000  0.3457  0.7506  1.0
  Au  Au5  2  0.0000  0.9968  0.2497  1.0
  S  S6  2  0.0000  0.6101  0.4160  1.0
  S  S7  2  0.0000  0.6170  0.0750  1.0
  S  S8  2  0.0000  0.6360  0.7596  1.0
]