data_[Tm12Ge8Au4]
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 [Pnma]
_cell_length_a [11.4695]
_cell_length_b [4.2769]
_cell_length_c [11.3143]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Tm3Ge2Au]
_chemical_formula_sum '[Tm12 Ge8 Au4]'
_cell_volume [555.0129]
_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  0.0520  0.2500  0.3774  1
  Tm  Tm1  4  0.1269  0.7500  0.9348  1
  Tm  Tm2  4  0.2119  0.2500  0.6907  1
  Ge  Ge3  4  0.0063  0.7500  0.1919  1
  Ge  Ge4  4  0.1836  0.7500  0.4890  1
  Au  Au5  4  0.1315  0.2500  0.1323  1
]