data_[Bi4As2Pb16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  As  2.1800  1.1500  0.6600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.7535]
_cell_length_b [4.6950]
_cell_length_c [7.7725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5959]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Bi2AsPb8]
_chemical_formula_sum '[Bi4 As2 Pb16]'
_cell_volume [717.4136]
_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  4  0.1739  0.0000  0.7673  1.0
  As  As1  2  0.0000  0.5000  0.0000  1.0
  Pb  Pb2  4  0.0052  0.0000  0.7487  1.0
  Pb  Pb3  4  0.0954  0.5000  0.4944  1.0
  Pb  Pb4  4  0.1479  0.5000  0.0616  1.0
  Pb  Pb5  4  0.2096  0.0000  0.3511  1.0
]