data_[Tm2Ga4Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.2053]
_cell_length_b [4.0351]
_cell_length_c [6.9594]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4345]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm(GaAu4)2]
_chemical_formula_sum '[Tm2 Ga4 Au16]'
_cell_volume [409.5487]
_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  2  0.0000  0.5000  0.0000  1.0
  Ga  Ga1  4  0.2222  0.0000  0.6619  1.0
  Au  Au2  4  0.0372  0.0000  0.7159  1.0
  Au  Au3  4  0.1102  0.5000  0.4545  1.0
  Au  Au4  4  0.1426  0.0000  0.1821  1.0
  Au  Au5  4  0.1779  0.5000  0.8974  1.0
]