data_[Te6As2Pb2]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.3692]
_cell_length_b [6.4506]
_cell_length_c [12.5428]
_cell_angle_alpha [78.6093]
_cell_angle_beta [80.0930]
_cell_angle_gamma [70.6028]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Te3AsPb]
_chemical_formula_sum '[Te6 As2 Pb2]'
_cell_volume [324.7002]
_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  0.1174  0.6451  0.1191  1.0
  Te  Te1  2  0.3684  0.6593  0.6131  1.0
  Te  Te2  2  0.4140  0.0057  0.1618  1.0
  As  As3  2  0.2489  0.6789  0.8295  1.0
  Pb  Pb4  2  0.0526  0.2760  0.6407  1.0
]