data_[Tl4Ga4Au12]
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 [P2_1/c]
_cell_length_a [7.6392]
_cell_length_b [6.4016]
_cell_length_c [9.0398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.9420]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TlGaAu3]
_chemical_formula_sum '[Tl4 Ga4 Au12]'
_cell_volume [438.8319]
_cell_formula_units_Z [4]
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  0.4202  0.0830  0.8131  1.0
  Ga  Ga1  4  0.1285  0.6998  0.4247  1.0
  Au  Au2  4  0.0452  0.5838  0.1543  1.0
  Au  Au3  4  0.2119  0.0595  0.1424  1.0
  Au  Au4  4  0.3214  0.0443  0.4775  1.0
]