data_[Sb2P6Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  P  2.1900  1.0000  0.5500
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [20.9203]
_cell_length_b [3.9929]
_cell_length_c [13.1448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Sb(PPb)3]
_chemical_formula_sum '[Sb2 P6 Pb6]'
_cell_volume [1098.0064]
_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
[
  Sb  Sb0  2  0.5000  0.0000  0.4663  1
  P  P1  4  0.3919  0.0000  0.3682  1
  P  P2  2  0.5000  0.0000  0.1018  1
  Pb  Pb3  4  0.3585  0.0000  0.0037  1
  Pb  Pb4  2  0.5000  0.0000  0.7623  1
]