data_[Li28Tl4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [2.9297]
_cell_length_b [25.8797]
_cell_length_c [10.5598]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Li7TlAu3]
_chemical_formula_sum '[Li28 Tl4 Au12]'
_cell_volume [800.6421]
_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
[
  Li  Li0  8  0.0000  0.2872  0.1037  1
  Li  Li1  8  0.0000  0.3548  0.6087  1
  Li  Li2  8  0.0000  0.4486  0.5064  1
  Li  Li3  4  0.0000  0.4418  0.2500  1
  Tl  Tl4  4  0.0000  0.0437  0.2500  1
  Au  Au5  8  0.0000  0.1257  0.6065  1
  Au  Au6  4  0.0000  0.2084  0.2500  1
]