data_[Tl4Ga2Sn2Au12]
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
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [6.9768]
_cell_length_b [8.5426]
_cell_length_c [8.2915]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Tl2GaSnAu6]
_chemical_formula_sum '[Tl4 Ga2 Sn2 Au12]'
_cell_volume [494.1733]
_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  0.0000  0.2766  0.3080  1.0
  Ga  Ga1  2  0.0000  0.0000  0.7471  1.0
  Sn  Sn2  2  0.0000  0.5000  0.7228  1.0
  Au  Au3  4  0.0000  0.2448  0.9309  1.0
  Au  Au4  4  0.2067  0.0000  0.4886  1.0
  Au  Au5  4  0.2261  0.5000  0.0344  1.0
]