data_MgAl2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.14
_cell_angle_alpha   98.41
_cell_angle_beta   98.41
_cell_angle_gamma   32.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAl2In
_chemical_formula_sum   'Mg1 Al2 In1'
_cell_volume   81.16
_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  0.0  1.0
  Al  Al0  1  0.59  0.0  0.23  1.0
  Al  Al1  1  0.05  0.0  0.85  1.0
  In  In2  1  0.82  0.0  0.54  1.0

data_MgAl2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   5.14
_cell_length_c   5.43
_cell_angle_alpha   98.41
_cell_angle_beta   106.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAl2In
_chemical_formula_sum   'Mg1 Al2 In1'
_cell_volume   81.16
_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  0.0  1.0
  Al  Al1  1  0.0  0.23  0.59  1.0
  Al  Al2  1  0.0  0.85  0.05  1.0
  In  In3  1  0.0  0.54  0.82  1.0

Mg Al Al In
Mg Al Al In 0 2 o o - 1 3 o o o 2 3 - o o 