data_[Tm12Bi4Pb2Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4077]
_cell_length_b [4.2367]
_cell_length_c [8.4493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8514]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm6Bi2PbSe3]
_chemical_formula_sum '[Tm12 Bi4 Pb2 Se6]'
_cell_volume [642.4361]
_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  4  0.0044  0.0000  0.7469  1
  Tm  Tm1  4  0.1620  0.5000  0.5954  1
  Tm  Tm2  4  0.1677  0.5000  0.0708  1
  Bi  Bi3  4  0.1671  0.0000  0.3349  1
  Pb  Pb4  2  0.0000  0.5000  0.0000  1
  Se  Se5  4  0.1683  0.0000  0.8339  1
  Se  Se6  2  0.0000  0.5000  0.5000  1
]