data_[Tm12Ni4Au4]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8137]
_cell_length_b [6.3852]
_cell_length_c [8.3314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.7880]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm3NiAu]
_chemical_formula_sum '[Tm12 Ni4 Au4]'
_cell_volume [466.0363]
_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  0.0233  0.0000  0.2270  1
  Tm  Tm1  4  0.1797  0.5000  0.8625  1
  Tm  Tm2  4  0.2103  0.5000  0.3267  1
  Ni  Ni3  4  0.0000  0.3070  0.0000  1
  Au  Au4  4  0.0000  0.2758  0.5000  1
]