data_[Rb2Sn6Pb4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.1206]
_cell_length_b [4.2692]
_cell_length_c [9.0468]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6081]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbSn3(PbSe3)2]
_chemical_formula_sum '[Rb2 Sn6 Pb4 Se12]'
_cell_volume [725.8604]
_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
[
  Rb  Rb0  2  0.0000  0.5000  0.0000  1.0
  Sn  Sn1  4  0.1678  0.0000  0.8309  1.0
  Sn  Sn2  2  0.0000  0.5000  0.5000  1.0
  Pb  Pb3  4  0.1704  0.0000  0.3393  1.0
  Se  Se4  4  0.0133  0.0000  0.2927  1.0
  Se  Se5  4  0.1574  0.5000  0.6064  1.0
  Se  Se6  4  0.1824  0.5000  0.1113  1.0
]