data_[Tm6Bi2Pb2S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Bi  2.0200  1.6000  1.0350
  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 [9.1347]
_cell_length_b [4.1624]
_cell_length_c [10.1222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1376]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tm3BiPbS]
_chemical_formula_sum '[Tm6 Bi2 Pb2 S2]'
_cell_volume [384.8683]
_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
[
  Tm  Tm0  2  0.1373  0.2500  0.4127  1
  Tm  Tm1  2  0.1417  0.7500  0.8496  1
  Tm  Tm2  2  0.3760  0.2500  0.1096  1
  Bi  Bi3  2  0.3914  0.2500  0.8028  1
  Pb  Pb4  2  0.1265  0.7500  0.1713  1
  S  S5  2  0.1486  0.7500  0.5734  1
]