data_Mg2TlGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   4.83
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   102.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TlGa
_chemical_formula_sum   'Mg2 Tl1 Ga1'
_cell_volume   91.21
_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  0.06  0.41  0.32  1.0
  Mg  Mg2  1  0.22  0.0  0.65  1.0
  Tl  Tl3  1  0.57  0.41  0.63  1.0
  Ga  Ga0  1  0.27  0.0  0.54  1.0

data_Mg2TlGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   4.83
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   102.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TlGa
_chemical_formula_sum   'Mg2 Tl1 Ga1'
_cell_volume   91.21
_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  0.06  0.41  0.32  1.0
  Mg  Mg1  1  0.22  0.0  0.65  1.0
  Tl  Tl2  1  0.57  0.41  0.63  1.0
  Ga  Ga3  1  0.27  0.0  0.54  1.0

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