data_Mg2TlAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   4.86
_cell_angle_alpha   103.59
_cell_angle_beta   103.59
_cell_angle_gamma   38.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TlAu
_chemical_formula_sum   'Mg2 Tl1 Au1'
_cell_volume   86.22
_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  Mg1  1  0.11  0.0  0.26  1.0
  Mg  Mg2  1  0.64  0.0  0.45  1.0
  Tl  Tl3  1  0.36  0.0  0.49  1.0
  Au  Au0  1  0.36  0.0  0.86  1.0

data_Mg2TlAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   4.86
_cell_length_c   5.41
_cell_angle_alpha   103.59
_cell_angle_beta   109.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TlAu
_chemical_formula_sum   'Mg2 Tl1 Au1'
_cell_volume   86.22
_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  0.26  0.11  1.0
  Mg  Mg1  1  0.0  0.45  0.64  1.0
  Tl  Tl2  1  0.0  0.49  0.36  1.0
  Au  Au3  1  0.0  0.86  0.36  1.0

Mg Mg Tl Au