data_[Tl4Ga2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.6383]
_cell_length_b [4.6237]
_cell_length_c [6.6697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8465]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tl2GaAu]
_chemical_formula_sum '[Tl4 Ga2 Au2]'
_cell_volume [217.0750]
_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  2  0.0826  0.0000  0.5056  1.0
  Tl  Tl1  2  0.3089  0.0000  0.1449  1.0
  Ga  Ga2  2  0.0192  0.5000  0.8044  1.0
  Au  Au3  2  0.3789  0.5000  0.8625  1.0
]