data_[Tl14Hg4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.8256]
_cell_length_b [16.4415]
_cell_length_c [10.3075]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Tl7(HgAu)2]
_chemical_formula_sum '[Tl14 Hg4 Au4]'
_cell_volume [648.3357]
_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  0.1530  0.2825  1.0
  Tl  Tl1  4  0.0000  0.1776  0.8851  1.0
  Tl  Tl2  4  0.0000  0.3722  0.0965  1.0
  Tl  Tl3  2  0.0000  0.5000  0.5295  1.0
  Hg  Hg4  2  0.0000  0.0000  0.7601  1.0
  Hg  Hg5  2  0.0000  0.5000  0.8533  1.0
  Au  Au6  4  0.0000  0.2709  0.5915  1.0
]