data_[Rb8Pb8Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [14.3077]
_cell_length_b [7.9287]
_cell_length_c [9.5698]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Rb2Pb2Se3]
_chemical_formula_sum '[Rb8 Pb8 Se12]'
_cell_volume [1085.6056]
_cell_formula_units_Z [4]
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  0.1207  0.2500  0.3269  1
  Rb  Rb1  4  0.1361  0.7500  0.9693  1
  Pb  Pb2  4  0.0620  0.2500  0.7061  1
  Pb  Pb3  4  0.2107  0.7500  0.4448  1
  Se  Se4  8  0.1971  0.0014  0.6594  1
  Se  Se5  4  0.0953  0.2500  0.9880  1
]