data_[Tm16Cu4Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.9331]
_cell_length_b [4.9984]
_cell_length_c [6.5512]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5471]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8Cu2Ni]
_chemical_formula_sum '[Tm16 Cu4 Ni2]'
_cell_volume [531.5194]
_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  0.0317  0.0000  0.7885  1.0
  Tm  Tm1  4  0.0905  0.5000  0.4415  1.0
  Tm  Tm2  4  0.1652  0.5000  0.9750  1.0
  Tm  Tm3  4  0.2011  0.0000  0.3232  1.0
  Cu  Cu4  4  0.1854  0.0000  0.7242  1.0
  Ni  Ni5  2  0.0000  0.5000  0.0000  1.0
]