data_[Rb6Tm4Pb2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tm  1.2500  1.7500  1.0950
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0872]
_cell_length_b [12.2767]
_cell_length_c [8.0358]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0696]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3Tm2PbS6]
_chemical_formula_sum '[Rb6 Tm4 Pb2 S12]'
_cell_volume [668.3824]
_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  4  0.0000  0.1625  0.5000  1.0
  Rb  Rb1  2  0.0000  0.5000  0.5000  1.0
  Tm  Tm2  4  0.0000  0.3328  0.0000  1.0
  Pb  Pb3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2389  0.1743  0.1938  1.0
  S  S5  4  0.2156  0.5000  0.1923  1.0
]