data_[Tm10Te8Pb2]
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 [I4/m]
_cell_length_a [9.6964]
_cell_length_b [9.6964]
_cell_length_c [6.1042]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Tm5Te4Pb]
_chemical_formula_sum '[Tm10 Te8 Pb2]'
_cell_volume [573.9155]
_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  8  0.1017  0.7068  0.0000  1
  Tm  Tm1  2  0.0000  0.0000  0.5000  1
  Te  Te2  8  0.0970  0.6968  0.5000  1
  Pb  Pb3  2  0.0000  0.0000  0.0000  1
]