data_[Tm16Sn4Te2]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9656]
_cell_length_b [5.1076]
_cell_length_c [6.7307]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2398]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8Sn2Te]
_chemical_formula_sum '[Tm16 Sn4 Te2]'
_cell_volume [616.6236]
_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  0.0318  0.0000  0.7478  1.0
  Tm  Tm1  4  0.0935  0.5000  0.4325  1.0
  Tm  Tm2  4  0.1639  0.5000  0.9159  1.0
  Tm  Tm3  4  0.2163  0.0000  0.6331  1.0
  Sn  Sn4  4  0.1651  0.0000  0.1787  1.0
  Te  Te5  2  0.0000  0.5000  0.0000  1.0
]