data_[Rb4Pb2Se2S2]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.4644]
_cell_length_b [4.4926]
_cell_length_c [9.8951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7773]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Rb2PbSeS]
_chemical_formula_sum '[Rb4 Pb2 Se2 S2]'
_cell_volume [410.3241]
_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  0.1393  0.2500  0.8952  1.0
  Rb  Rb1  2  0.2960  0.2500  0.4074  1.0
  Pb  Pb2  2  0.4825  0.7500  0.1376  1.0
  Se  Se3  2  0.3731  0.7500  0.6944  1.0
  S  S4  2  0.2145  0.7500  0.1576  1.0
]