data_[Tm16Al4Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Al  1.6100  1.2500  0.6750
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1662]
_cell_length_b [4.9893]
_cell_length_c [6.5410]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7037]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8Al2Ni]
_chemical_formula_sum '[Tm16 Al4 Ni2]'
_cell_volume [578.3448]
_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  0.0204  0.0000  0.7776  1.0
  Tm  Tm1  4  0.0921  0.5000  0.4541  1.0
  Tm  Tm2  4  0.1467  0.5000  0.9752  1.0
  Tm  Tm3  4  0.2106  0.0000  0.3049  1.0
  Al  Al4  4  0.1888  0.0000  0.7547  1.0
  Ni  Ni5  2  0.0000  0.5000  0.0000  1.0
]