data_[Tm6Ag2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.0348]
_cell_length_b [5.0348]
_cell_length_c [12.3588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Tm3AgAu2]
_chemical_formula_sum '[Tm6 Ag2 Au4]'
_cell_volume [271.3183]
_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  0.0000  0.2475  1
  Tm  Tm1  2  0.3333  0.6667  0.4179  1
  Tm  Tm2  2  0.3333  0.6667  0.9201  1
  Ag  Ag3  2  0.3333  0.6667  0.6698  1
  Au  Au4  2  0.3333  0.6667  0.1748  1
  Au  Au5  1  0.0000  0.0000  0.0000  1
  Au  Au6  1  0.0000  0.0000  0.5000  1
]