data_[Tm4In4Ni20]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.0395]
_cell_length_b [4.8138]
_cell_length_c [10.2905]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TmInNi5]
_chemical_formula_sum '[Tm4 In4 Ni20]'
_cell_volume [398.2447]
_cell_formula_units_Z [4]
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  0.2479  0.7500  0.5616  1
  In  In1  4  0.1374  0.7500  0.8634  1
  Ni  Ni2  8  0.0665  0.0011  0.3110  1
  Ni  Ni3  4  0.0457  0.7500  0.1042  1
  Ni  Ni4  4  0.0834  0.2500  0.5167  1
  Ni  Ni5  4  0.1897  0.2500  0.7401  1
]