data_[Tm8Sb2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.0995]
_cell_length_b [6.0995]
_cell_length_c [12.1973]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Tm4SbTe3]
_chemical_formula_sum '[Tm8 Sb2 Te6]'
_cell_volume [453.7805]
_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  0.0000  0.2427  1.0
  Tm  Tm1  4  0.0000  0.5000  0.0000  1.0
  Sb  Sb2  2  0.0000  0.0000  0.0000  1.0
  Te  Te3  4  0.0000  0.5000  0.2500  1.0
  Te  Te4  2  0.0000  0.0000  0.5000  1.0
]