data_MgAlIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.09
_cell_length_b   7.07
_cell_length_c   3.12
_cell_angle_alpha   77.61
_cell_angle_beta   76.92
_cell_angle_gamma   25.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAlIn
_chemical_formula_sum   'Mg1 Al1 In1'
_cell_volume   65.42
_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  0.24  0.6  1.0
  Al  Al0  1  0.17  0.24  0.37  1.0
  In  In1  1  0.17  0.24  0.92  1.0

data_MgAlIn
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   3.12
_cell_length_b   13.45
_cell_length_c   3.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   MgAlIn
_chemical_formula_sum   'Mg2 Al2 In2'
_cell_volume   130.89
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  2  0.0  0.5  0.84  1.0
  Al  Al1  2  0.0  0.5  0.61  1.0
  In  In2  2  0.0  0.5  0.16  1.0

Mg Al In
Mg Al In 0 1 o o o 0 2 o o o 