data_[Tm13In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6331]
_cell_length_b [8.3855]
_cell_length_c [8.7261]
_cell_angle_alpha [66.9548]
_cell_angle_beta [78.8621]
_cell_angle_gamma [82.6068]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tm13In2]
_chemical_formula_sum '[Tm13 In2]'
_cell_volume [437.4545]
_cell_formula_units_Z [1]
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  2  0.1219  0.4839  0.7397  1.0
  Tm  Tm1  2  0.1993  0.2267  0.1527  1.0
  Tm  Tm2  2  0.2544  0.9393  0.5793  1.0
  Tm  Tm3  2  0.3068  0.6561  0.9759  1.0
  Tm  Tm4  2  0.3682  0.4103  0.3904  1.0
  Tm  Tm5  2  0.4835  0.1459  0.7938  1.0
  Tm  Tm6  1  0.0000  0.0000  0.0000  1.0
  In  In7  2  0.0610  0.7671  0.3766  1.0
]