data_[Tm16Te6Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Te  2.1000  1.4000  1.2933
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2659]
_cell_length_b [12.2788]
_cell_length_c [8.6040]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.4851]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8Te3Pb4]
_chemical_formula_sum '[Tm16 Te6 Pb8]'
_cell_volume [924.4992]
_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  0.0000  0.2482  0.0000  1
  Tm  Tm1  4  0.0000  0.2522  0.5000  1
  Tm  Tm2  4  0.2489  0.5000  0.4999  1
  Tm  Tm3  4  0.2499  0.5000  0.9905  1
  Te  Te4  4  0.2500  0.2500  0.0000  1
  Te  Te5  2  0.0000  0.0000  0.5000  1
  Pb  Pb6  4  0.2500  0.2500  0.5000  1
  Pb  Pb7  2  0.0000  0.0000  0.0000  1
  Pb  Pb8  2  0.0000  0.5000  0.5000  1
]