data_[Tm8Ge8Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6750]
_cell_length_b [4.3141]
_cell_length_c [10.1812]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.6969]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm2Ge2Au]
_chemical_formula_sum '[Tm8 Ge8 Au4]'
_cell_volume [418.8888]
_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  0.0017  0.0000  0.3207  1.0
  Tm  Tm1  4  0.1834  0.0000  0.1025  1.0
  Ge  Ge2  4  0.0404  0.5000  0.8934  1.0
  Ge  Ge3  4  0.1355  0.5000  0.5677  1.0
  Au  Au4  4  0.2145  0.5000  0.3411  1.0
]