data_[Tc6Au10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9787]
_cell_length_b [7.0243]
_cell_length_c [8.3440]
_cell_angle_alpha [88.2968]
_cell_angle_beta [81.9009]
_cell_angle_gamma [75.9661]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tc3Au5]
_chemical_formula_sum '[Tc6 Au10]'
_cell_volume [280.2719]
_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
[
  Tc  Tc0  2  0.0742  0.1396  0.4979  1
  Tc  Tc1  2  0.2562  0.9266  0.9631  1
  Tc  Tc2  2  0.3901  0.5323  0.8937  1
  Au  Au3  2  0.0120  0.6926  0.1704  1
  Au  Au4  2  0.1514  0.2640  0.1636  1
  Au  Au5  2  0.2386  0.4880  0.5699  1
  Au  Au6  2  0.4036  0.8217  0.6458  1
  Au  Au7  2  0.4328  0.8457  0.2703  1
]