data_[Tm12Sb2Te6]
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 [P2_1/m]
_cell_length_a [11.9666]
_cell_length_b [4.0450]
_cell_length_c [12.3842]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8155]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tm6SbTe3]
_chemical_formula_sum '[Tm12 Sb2 Te6]'
_cell_volume [579.5226]
_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  2  0.0398  0.2500  0.8701  1.0
  Tm  Tm1  2  0.1166  0.7500  0.4562  1.0
  Tm  Tm2  2  0.2130  0.2500  0.2329  1.0
  Tm  Tm3  2  0.2463  0.2500  0.6979  1.0
  Tm  Tm4  2  0.4226  0.7500  0.1211  1.0
  Tm  Tm5  2  0.4850  0.7500  0.6471  1.0
  Sb  Sb6  2  0.0486  0.7500  0.6850  1.0
  Te  Te7  2  0.1646  0.7500  0.0378  1.0
  Te  Te8  2  0.3247  0.2500  0.4843  1.0
  Te  Te9  2  0.3852  0.7500  0.8614  1.0
]