data_[Tm8Pb4Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0790]
_cell_length_b [13.4249]
_cell_length_c [14.1349]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tm2PbSe4]
_chemical_formula_sum '[Tm8 Pb4 Se16]'
_cell_volume [774.0259]
_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  8  0.0000  0.1366  0.0658  1.0
  Pb  Pb1  4  0.0000  0.3973  0.2500  1.0
  Se  Se2  8  0.0000  0.2306  0.6138  1.0
  Se  Se3  4  0.0000  0.0542  0.2500  1.0
  Se  Se4  4  0.0000  0.5000  0.0000  1.0
]