data_[Tl10In2Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.5573]
_cell_length_b [4.3416]
_cell_length_c [7.7620]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5512]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl5InAu4]
_chemical_formula_sum '[Tl10 In2 Au8]'
_cell_volume [544.6331]
_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  0.1746  0.0000  0.5933  1.0
  Tl  Tl1  4  0.1783  0.0000  0.0669  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  In  In3  2  0.0000  0.5000  0.0000  1.0
  Au  Au4  4  0.0230  0.0000  0.7736  1.0
  Au  Au5  4  0.1388  0.5000  0.3066  1.0
]