data_[Bi6Pb14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.9791]
_cell_length_b [8.7610]
_cell_length_c [11.1519]
_cell_angle_alpha [108.4812]
_cell_angle_beta [90.2921]
_cell_angle_gamma [91.2494]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Bi3Pb7]
_chemical_formula_sum '[Bi6 Pb14]'
_cell_volume [646.4930]
_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  1  0.0860  0.1922  0.0986  1
  Bi  Bi1  1  0.1140  0.7814  0.8895  1
  Bi  Bi2  1  0.2481  0.3100  0.4069  1
  Bi  Bi3  1  0.5973  0.5923  0.2905  1
  Bi  Bi4  1  0.6122  0.3778  0.6997  1
  Bi  Bi5  1  0.7585  0.7211  0.6012  1
  Pb  Pb6  1  0.0641  0.9899  0.4969  1
  Pb  Pb7  1  0.0865  0.5991  0.2893  1
  Pb  Pb8  1  0.0940  0.3928  0.7058  1
  Pb  Pb9  1  0.2831  0.6989  0.5962  1
  Pb  Pb10  1  0.2999  0.9168  0.1988  1
  Pb  Pb11  1  0.3123  0.1067  0.8055  1
  Pb  Pb12  1  0.3153  0.4990  0.0099  1
  Pb  Pb13  1  0.5571  0.9989  0.4958  1
  Pb  Pb14  1  0.5904  0.7903  0.8985  1
  Pb  Pb15  1  0.5934  0.1974  0.0933  1
  Pb  Pb16  1  0.7741  0.3126  0.4072  1
  Pb  Pb17  1  0.7950  0.9098  0.2094  1
  Pb  Pb18  1  0.8153  0.5152  0.0001  1
  Pb  Pb19  1  0.8195  0.0977  0.8071  1
]