data_Mg2AlIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.54
_cell_angle_alpha   99.98
_cell_angle_beta   99.98
_cell_angle_gamma   36.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2AlIn
_chemical_formula_sum   'Mg2 Al1 In1'
_cell_volume   86.95
_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  0.15  0.0  0.3  1.0
  Mg  Mg3  1  0.75  0.0  0.14  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.45  0.0  0.72  1.0

data_Mg2AlIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   5.21
_cell_length_c   5.54
_cell_angle_alpha   99.98
_cell_angle_beta   90.0
_cell_angle_gamma   108.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2AlIn
_chemical_formula_sum   'Mg2 Al1 In1'
_cell_volume   86.95
_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  0.0  0.25  0.86  1.0
  Mg  Mg1  1  0.0  0.85  0.7  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  In  In3  1  0.0  0.55  0.28  1.0

Mg Mg Al In