data_[Rb2P2Pb2Se8]
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 [P2_1/m]
_cell_length_a [7.0483]
_cell_length_b [7.0864]
_cell_length_c [9.5259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9210]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbPPbSe4]
_chemical_formula_sum '[Rb2 P2 Pb2 Se8]'
_cell_volume [452.7103]
_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  0.2574  0.2500  0.0652  1.0
  P  P1  2  0.1988  0.7500  0.3190  1.0
  Pb  Pb2  2  0.2455  0.2500  0.5478  1.0
  Se  Se3  4  0.0028  0.0000  0.7238  1.0
  Se  Se4  2  0.3831  0.7500  0.5556  1.0
  Se  Se5  2  0.3869  0.7500  0.1697  1.0
]