[CIF]
data_CaTlAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12010048
_cell_length_b   5.12010048
_cell_length_c   5.12010048
_cell_angle_alpha   120.76959988
_cell_angle_beta   120.76959988
_cell_angle_gamma   88.67210369
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTlAu2
_chemical_formula_sum   'Ca1 Tl1 Au2'
_cell_volume   93.78046730
_cell_formula_units_Z   1
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
  Au  Au0  1  2.53021295  -0.00000000  1.83108396  1
  Au  Au1  1  -0.00000000  2.53021295  1.83108396  1
  Ca  Ca2  1  0.00000000  0.00000000  0.00000000  1
  Tl  Tl3  1  0.00000000  -0.00000000  3.66216791  1
[/CIF]
