data_[Te6As2Pb2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6482]
_cell_length_b [4.2787]
_cell_length_c [9.8523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6773]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Te3AsPbAu]
_chemical_formula_sum '[Te6 As2 Pb2 Au2]'
_cell_volume [357.0253]
_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
[
  Te  Te0  2  0.1110  0.2500  0.8834  1.0
  Te  Te1  2  0.2758  0.7500  0.5380  1.0
  Te  Te2  2  0.4329  0.7500  0.1553  1.0
  As  As3  2  0.3325  0.7500  0.8777  1.0
  Pb  Pb4  2  0.1893  0.2500  0.2945  1.0
  Au  Au5  2  0.0589  0.2500  0.5986  1.0
]