data_MgTlAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   5.83
_cell_angle_alpha   103.46
_cell_angle_beta   103.46
_cell_angle_gamma   48.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTlAu2
_chemical_formula_sum   'Mg1 Tl1 Au2'
_cell_volume   89.33
_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
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.43  0.0  0.82  1.0
  Au  Au0  1  0.84  0.0  0.13  1.0
  Au  Au1  1  0.03  0.0  0.51  1.0

data_MgTlAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   4.59
_cell_length_c   5.83
_cell_angle_alpha   103.46
_cell_angle_beta   90.0
_cell_angle_gamma   114.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTlAu2
_chemical_formula_sum   'Mg1 Tl1 Au2'
_cell_volume   89.33
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.57  0.18  1.0
  Au  Au2  1  0.0  0.16  0.87  1.0
  Au  Au3  1  0.0  0.97  0.49  1.0

Mg Tl Au Au