data_[Tl3Sb2Au7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.4755]
_cell_length_b [4.8760]
_cell_length_c [14.5028]
_cell_angle_alpha [81.7013]
_cell_angle_beta [82.9754]
_cell_angle_gamma [79.5407]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl3Sb2Au7]
_chemical_formula_sum '[Tl3 Sb2 Au7]'
_cell_volume [306.4673]
_cell_formula_units_Z [1]
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
[
  Tl  Tl0  2  0.3175  0.7833  0.5813  1
  Tl  Tl1  1  0.5000  0.5000  0.0000  1
  Sb  Sb2  2  0.0651  0.9887  0.1824  1
  Au  Au3  2  0.0923  0.6342  0.4113  1
  Au  Au4  2  0.2926  0.4260  0.2265  1
  Au  Au5  2  0.4290  0.1640  0.7075  1
  Au  Au6  1  0.0000  0.0000  0.0000  1
]