data_MgAlIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   4.52
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAlIn2
_chemical_formula_sum   'Mg1 Al1 In2'
_cell_volume   92.69
_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  Mg3  1  0.0  0.0  0.2  1.0
  Al  Al0  1  0.63  0.26  0.69  1.0
  In  In1  1  0.0  0.0  0.21  1.0
  In  In2  1  0.63  0.26  0.64  1.0

data_MgAlIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.52
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAlIn2
_chemical_formula_sum   'Mg1 Al1 In2'
_cell_volume   92.69
_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  0.2  1.0
  Al  Al1  1  0.63  0.26  0.69  1.0
  In  In2  1  0.0  0.0  0.21  1.0
  In  In3  1  0.63  0.26  0.64  1.0

Mg Al In In