data_[As8Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [10.8762]
_cell_length_b [3.7765]
_cell_length_c [8.6463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.1267]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [As2Pb]
_chemical_formula_sum '[As8 Pb4]'
_cell_volume [313.1983]
_cell_formula_units_Z [4]
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
[
  As  As0  4  0.1146  0.5000  0.0163  1
  As  As1  4  0.2482  0.0000  0.4025  1
  Pb  Pb2  4  0.0587  0.0000  0.7344  1
]