data_[Tm9Zn24In3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.4184]
_cell_length_b [5.4184]
_cell_length_c [26.4773]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Tm3Zn8In]
_chemical_formula_sum '[Tm9 Zn24 In3]'
_cell_volume [673.2117]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3773  1.0
  Tm  Tm1  3  0.0000  0.0000  0.5023  1.0
  Tm  Tm2  3  0.0000  0.0000  0.9959  1.0
  Zn  Zn3  9  0.1679  0.3358  0.2726  1.0
  Zn  Zn4  9  0.1696  0.3391  0.7697  1.0
  Zn  Zn5  3  0.0000  0.0000  0.1864  1.0
  Zn  Zn6  3  0.0000  0.0000  0.6885  1.0
  In  In7  3  0.0000  0.0000  0.8727  1.0
]