data_MgTlIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   5.33
_cell_length_c   6.16
_cell_angle_alpha   90.0
_cell_angle_beta   99.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTlIn2
_chemical_formula_sum   'Mg1 Tl1 In2'
_cell_volume   107.95
_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  0.17  0.0  0.02  1.0
  Tl  Tl3  1  0.09  0.67  0.53  1.0
  In  In0  1  0.31  0.0  0.03  1.0
  In  In1  1  0.25  0.67  0.53  1.0

data_MgTlIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   5.33
_cell_length_c   6.16
_cell_angle_alpha   90.0
_cell_angle_beta   99.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTlIn2
_chemical_formula_sum   'Mg1 Tl1 In2'
_cell_volume   107.95
_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  0.17  0.0  0.02  1.0
  Tl  Tl1  1  0.09  0.67  0.53  1.0
  In  In2  1  0.25  0.67  0.53  1.0
  In  In3  1  0.31  0.0  0.03  1.0

Mg Tl In In