data_[Tm12Si4Sn2Te6]
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
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5990]
_cell_length_b [4.2082]
_cell_length_c [8.6213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1793]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm6Si2SnTe3]
_chemical_formula_sum '[Tm12 Si4 Sn2 Te6]'
_cell_volume [654.2231]
_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  0.0106  0.0000  0.2501  1.0
  Tm  Tm1  4  0.1668  0.5000  0.1106  1.0
  Tm  Tm2  4  0.1753  0.5000  0.5652  1.0
  Si  Si3  4  0.1677  0.0000  0.3362  1.0
  Sn  Sn4  2  0.0000  0.5000  0.0000  1.0
  Te  Te5  4  0.1641  0.0000  0.8327  1.0
  Te  Te6  2  0.0000  0.5000  0.5000  1.0
]