data_[Tm3Zn27Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  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 [5.2232]
_cell_length_b [5.2232]
_cell_length_c [25.1581]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [TmZn9Au2]
_chemical_formula_sum '[Tm3 Zn27 Au6]'
_cell_volume [594.4132]
_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
  Zn  Zn1  18  0.0052  0.5026  0.9142  1
  Zn  Zn2  6  0.0000  0.0000  0.3331  1
  Zn  Zn3  3  -0.0000  -0.0000  0.5000  1
  Au  Au4  6  0.0000  0.0000  0.1227  1
]