data_[Tm12Si4Ge2Te6]
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 [18.4748]
_cell_length_b [4.1771]
_cell_length_c [8.5012]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7759]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm6Si2GeTe3]
_chemical_formula_sum '[Tm12 Si4 Ge2 Te6]'
_cell_volume [634.3515]
_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  0.0078  0.0000  0.2329  1.0
  Tm  Tm1  4  0.1600  0.5000  0.1028  1.0
  Tm  Tm2  4  0.1742  0.5000  0.5644  1.0
  Si  Si3  4  0.1667  0.0000  0.3334  1.0
  Ge  Ge4  2  0.0000  0.5000  0.0000  1.0
  Te  Te5  4  0.1664  0.0000  0.8331  1.0
  Te  Te6  2  0.0000  0.5000  0.5000  1.0
]