data_[Tl2Cd1Ga1Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5468]
_cell_length_b [5.6830]
_cell_length_c [7.4543]
_cell_angle_alpha [88.4835]
_cell_angle_beta [81.2160]
_cell_angle_gamma [77.6301]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl2CdGaAu6]
_chemical_formula_sum '[Tl2 Cd1 Ga1 Au6]'
_cell_volume [226.8241]
_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  0.4091  0.2875  0.1374  1.0
  Cd  Cd1  1  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  1  0.5000  0.5000  0.5000  1.0
  Au  Au3  2  0.0960  0.7917  0.6452  1.0
  Au  Au4  2  0.1706  0.2716  0.6677  1.0
  Au  Au5  2  0.3265  0.8041  0.2553  1.0
]