data_Mg2TlGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   5.08
_cell_angle_alpha   100.14
_cell_angle_beta   100.14
_cell_angle_gamma   34.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TlGa
_chemical_formula_sum   'Mg2 Tl1 Ga1'
_cell_volume   90.37
_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  0.03  0.0  0.08  1.0
  Mg  Mg2  1  0.02  0.0  0.71  1.0
  Tl  Tl3  1  0.88  0.0  0.56  1.0
  Ga  Ga0  1  0.8  0.0  0.14  1.0

data_Mg2TlGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   5.08
_cell_length_c   5.63
_cell_angle_alpha   100.14
_cell_angle_beta   107.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TlGa
_chemical_formula_sum   'Mg2 Tl1 Ga1'
_cell_volume   90.37
_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  0.08  0.03  1.0
  Mg  Mg1  1  0.0  0.71  0.02  1.0
  Tl  Tl2  1  0.0  0.56  0.88  1.0
  Ga  Ga3  1  0.0  0.14  0.8  1.0

Mg Mg Tl Ga
Mg Mg Tl Ga 0 3 - o o 1 2 - o o 