data_[Tl4In2Sn4Au14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1330]
_cell_length_b [6.0336]
_cell_length_c [15.6263]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.4888]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2InSn2Au7]
_chemical_formula_sum '[Tl4 In2 Sn4 Au14]'
_cell_volume [573.3119]
_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
[
  Tl  Tl0  4  0.0824  0.0000  0.3924  1
  In  In1  2  0.0000  0.0000  0.0000  1
  Sn  Sn2  4  0.0724  0.5000  0.2487  1
  Au  Au3  8  0.2103  0.2477  0.8653  1
  Au  Au4  4  0.0792  0.5000  0.4229  1
  Au  Au5  2  0.0000  0.5000  0.0000  1
]