data_MgIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   3.28
_cell_length_c   8.02
_cell_angle_alpha   104.62
_cell_angle_beta   104.62
_cell_angle_gamma   70.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIn2
_chemical_formula_sum   'Mg1 In2'
_cell_volume   77.21
_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  0.0  0.0  0.0  1.0
  In  In0  1  0.73  0.0  0.48  1.0
  In  In1  1  0.13  0.0  0.15  1.0

data_MgIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   3.28
_cell_length_c   7.86
_cell_angle_alpha   96.86
_cell_angle_beta   99.16
_cell_angle_gamma   109.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIn2
_chemical_formula_sum   'Mg1 In2'
_cell_volume   77.21
_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
  In  In1  1  0.25  0.0  0.52  1.0
  In  In2  1  0.98  0.0  0.85  1.0

Mg In In