data_[Tm4Zn4Au12]
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 [Pnma]
_cell_length_a [8.6170]
_cell_length_b [4.3431]
_cell_length_c [10.7287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TmZnAu3]
_chemical_formula_sum '[Tm4 Zn4 Au12]'
_cell_volume [401.5190]
_cell_formula_units_Z [4]
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  0.1997  0.2500  0.9995  1.0
  Zn  Zn1  4  0.1147  0.2500  0.6521  1.0
  Au  Au2  4  0.0579  0.2500  0.4101  1.0
  Au  Au3  4  0.0864  0.7500  0.1628  1.0
  Au  Au4  4  0.1479  0.7500  0.8032  1.0
]