data_[Sb1As3Pb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.5472]
_cell_length_b [5.1111]
_cell_length_c [21.8610]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [98.3338]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Sb(AsPb)3]
_chemical_formula_sum '[Sb1 As3 Pb3]'
_cell_volume [502.7116]
_cell_formula_units_Z [1]
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
[
  Sb  Sb0  1  0.1616  0.6612  0.4306  1
  As  As1  1  0.4132  0.0219  0.6304  1
  As  As2  1  0.5730  0.6487  0.5748  1
  As  As3  1  0.8205  0.3990  0.6480  1
  Pb  Pb4  1  0.0100  0.1542  0.5378  1
  Pb  Pb5  1  0.1594  0.1634  0.3443  1
  Pb  Pb6  1  0.6631  0.6592  0.3341  1
]