data_[Li2Tl2Au4]
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 [P2_1/m]
_cell_length_a [4.3317]
_cell_length_b [7.4221]
_cell_length_c [5.2344]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4732]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiTlAu2]
_chemical_formula_sum '[Li2 Tl2 Au4]'
_cell_volume [157.6585]
_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
[
  Li  Li0  2  0.2114  0.2500  0.9287  1
  Tl  Tl1  2  0.0842  0.7500  0.6418  1
  Au  Au2  4  0.3553  0.5526  0.2174  1
]