data_[Tm12Ge4Te6Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4318]
_cell_length_b [4.1734]
_cell_length_c [8.4852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6027]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm6Ge2Te3Se]
_chemical_formula_sum '[Tm12 Ge4 Te6 Se2]'
_cell_volume [631.6246]
_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  0.0111  0.0000  0.2410  1.0
  Tm  Tm1  4  0.1642  0.5000  0.1071  1.0
  Tm  Tm2  4  0.1740  0.5000  0.5636  1.0
  Ge  Ge3  4  0.1668  0.0000  0.3313  1.0
  Te  Te4  4  0.1632  0.0000  0.8334  1.0
  Te  Te5  2  0.0000  0.5000  0.5000  1.0
  Se  Se6  2  0.0000  0.5000  0.0000  1.0
]