data_[Rb4P4Pb2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  P  2.1900  1.0000  0.5500
  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 [12.8620]
_cell_length_b [7.4150]
_cell_length_c [8.6490]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.0689]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2P2PbSe6]
_chemical_formula_sum '[Rb4 P4 Pb2 Se12]'
_cell_volume [706.5449]
_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  4  0.2181  0.5000  0.2320  1.0
  P  P1  4  0.0263  0.0000  0.1532  1.0
  Pb  Pb2  2  0.0000  0.5000  0.5000  1.0
  Se  Se3  8  0.0585  0.2478  0.8211  1.0
  Se  Se4  4  0.2266  0.0000  0.3242  1.0
]