data_[Tm10Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.8922]
_cell_length_b [7.2222]
_cell_length_c [14.8195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tm5Au6]
_chemical_formula_sum '[Tm10 Au12]'
_cell_volume [523.6135]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.3285  1
  Tm  Tm1  4  0.0000  0.5000  0.3520  1
  Tm  Tm2  2  0.0000  0.5000  0.0000  1
  Au  Au3  8  0.0000  0.2668  0.1770  1
  Au  Au4  4  0.0000  0.2248  0.5000  1
]