data_[Tm20Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.9585]
_cell_length_b [6.2761]
_cell_length_c [6.7506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.3214]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tm5Ni2]
_chemical_formula_sum '[Tm20 Ni8]'
_cell_volume [672.0115]
_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  8  0.0957  0.1100  0.9214  1.0
  Tm  Tm1  8  0.2171  0.4337  0.3112  1.0
  Tm  Tm2  4  0.0000  0.4340  0.2500  1.0
  Ni  Ni3  8  0.1102  0.2937  0.5674  1.0
]