data_[Cs4Rb4Pb4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [C2/m]
_cell_length_a [18.4829]
_cell_length_b [4.8193]
_cell_length_c [11.4234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0711]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsRbPbSe2]
_chemical_formula_sum '[Cs4 Rb4 Pb4 Se8]'
_cell_volume [998.6009]
_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
[
  Cs  Cs0  4  0.1201  0.5000  0.6196  1.0
  Rb  Rb1  4  0.1654  0.5000  0.0705  1.0
  Pb  Pb2  4  0.0028  0.0000  0.1609  1.0
  Se  Se3  4  0.0558  0.5000  0.2974  1.0
  Se  Se4  4  0.1466  0.0000  0.8490  1.0
]