data_[Tm12Sn2Ge4Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sn  1.9600  1.4500  0.8300
  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 [18.6352]
_cell_length_b [4.2262]
_cell_length_c [8.6275]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0310]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm6SnGe2Te3]
_chemical_formula_sum '[Tm12 Sn2 Ge4 Te6]'
_cell_volume [659.1929]
_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  0.0098  0.0000  0.2489  1.0
  Tm  Tm1  4  0.1662  0.5000  0.1090  1.0
  Tm  Tm2  4  0.1750  0.5000  0.5659  1.0
  Sn  Sn3  2  0.0000  0.5000  0.0000  1.0
  Ge  Ge4  4  0.1676  0.0000  0.3360  1.0
  Te  Te5  4  0.1645  0.0000  0.8328  1.0
  Te  Te6  2  0.0000  0.5000  0.5000  1.0
]