data_[Tm12Si2Ge4Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4848]
_cell_length_b [4.1838]
_cell_length_c [8.5050]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6668]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm6SiGe2Te3]
_chemical_formula_sum '[Tm12 Si2 Ge4 Te6]'
_cell_volume [636.3207]
_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  0.0068  0.0000  0.2304  1.0
  Tm  Tm1  4  0.1588  0.5000  0.1003  1.0
  Tm  Tm2  4  0.1736  0.5000  0.5651  1.0
  Si  Si3  2  0.0000  0.5000  0.0000  1.0
  Ge  Ge4  4  0.1666  0.0000  0.3329  1.0
  Te  Te5  4  0.1669  0.0000  0.8332  1.0
  Te  Te6  2  0.0000  0.5000  0.5000  1.0
]