data_[Tm4Zn4Ni20]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.8513]
_cell_length_b [4.7755]
_cell_length_c [9.9538]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TmZnNi5]
_chemical_formula_sum '[Tm4 Zn4 Ni20]'
_cell_volume [373.2044]
_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  0.2452  0.2500  0.0599  1
  Zn  Zn1  4  0.1400  0.7500  0.8582  1
  Ni  Ni2  8  0.0671  0.0043  0.3084  1
  Ni  Ni3  4  0.0524  0.7500  0.0961  1
  Ni  Ni4  4  0.0949  0.2500  0.5177  1
  Ni  Ni5  4  0.1864  0.2500  0.7496  1
]