data_[Cs4Sn6Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9157]
_cell_length_b [5.2436]
_cell_length_c [8.5041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1769]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Sn3Pb2]
_chemical_formula_sum '[Cs4 Sn6 Pb4]'
_cell_volume [536.4376]
_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
[
  Cs  Cs0  4  0.1596  0.0000  0.8032  1.0
  Sn  Sn1  4  0.0821  0.5000  0.4191  1.0
  Sn  Sn2  2  0.0000  0.5000  0.0000  1.0
  Pb  Pb3  4  0.1514  0.0000  0.2867  1.0
]