data_[Rb2Sm2Pb2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sm  1.1700  1.8500  1.2290
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.0166]
_cell_length_b [4.1160]
_cell_length_c [12.1565]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0929]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbSmPbS3]
_chemical_formula_sum '[Rb2 Sm2 Pb2 S6]'
_cell_volume [381.2808]
_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  0.0821  0.7500  0.1692  1.0
  Sm  Sm1  2  0.4292  0.2500  0.8486  1.0
  Pb  Pb2  2  0.2753  0.7500  0.5526  1.0
  S  S3  2  0.1376  0.2500  0.6425  1.0
  S  S4  2  0.2806  0.7500  0.9485  1.0
  S  S5  2  0.4305  0.2500  0.2560  1.0
]