data_[Tm6Zn18Au12]
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 [C2/m]
_cell_length_a [17.5542]
_cell_length_b [4.1361]
_cell_length_c [9.8349]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2576]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmZn3Au2]
_chemical_formula_sum '[Tm6 Zn18 Au12]'
_cell_volume [678.1160]
_cell_formula_units_Z [6]
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  0.1546  0.0000  0.7399  1
  Tm  Tm1  2  0.0000  0.0000  0.0000  1
  Zn  Zn2  4  0.0456  0.0000  0.3545  1
  Zn  Zn3  4  0.1229  0.5000  0.2174  1
  Zn  Zn4  4  0.1811  0.5000  0.9821  1
  Zn  Zn5  4  0.2019  0.0000  0.4156  1
  Zn  Zn6  2  0.0000  0.5000  0.5000  1
  Au  Au7  4  0.0349  0.5000  0.8028  1
  Au  Au8  4  0.1450  0.5000  0.5206  1
  Au  Au9  4  0.2060  0.0000  0.1531  1
]