data_[Tm3Mg3Zn6Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.6170]
_cell_length_b [4.6170]
_cell_length_c [23.9805]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [TmMg(ZnAu2)2]
_chemical_formula_sum '[Tm3 Mg3 Zn6 Au12]'
_cell_volume [442.7059]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1.0
  Mg  Mg1  3  -0.0000  -0.0000  0.5000  1.0
  Zn  Zn2  6  0.0000  0.0000  0.2494  1.0
  Au  Au3  6  0.0000  0.0000  0.1273  1.0
  Au  Au4  6  0.0000  0.0000  0.3856  1.0
]