data_[Tm4Al4Pb8Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Al  1.6100  1.2500  0.6750
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0502]
_cell_length_b [18.5243]
_cell_length_c [13.3289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [TmAlPb2Se5]
_chemical_formula_sum '[Tm4 Al4 Pb8 Se20]'
_cell_volume [1000.0226]
_cell_formula_units_Z [4]
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  0.0000  0.1978  0.0291  1.0
  Al  Al1  4  0.0000  0.4424  0.4245  1.0
  Pb  Pb2  4  0.0000  0.1175  0.3273  1.0
  Pb  Pb3  4  0.0000  0.1380  0.6717  1.0
  Se  Se4  4  0.0000  0.0391  0.0284  1.0
  Se  Se5  4  0.0000  0.2988  0.6770  1.0
  Se  Se6  4  0.0000  0.3154  0.3793  1.0
  Se  Se7  4  0.0000  0.3485  0.0149  1.0
  Se  Se8  4  0.0000  0.4922  0.7717  1.0
]