data_Mg2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39
_cell_length_b   4.65
_cell_length_c   9.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2In
_chemical_formula_sum   'Mg8 In4'
_cell_volume   276.76
_cell_formula_units_Z   4
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  Mg4  1  0.48  0.16  0.15  1.0
  Mg  Mg5  1  0.0  0.16  0.31  1.0
  Mg  Mg6  1  0.19  0.49  0.65  1.0
  Mg  Mg7  1  0.72  0.49  0.81  1.0
  Mg  Mg8  1  0.67  0.16  0.51  1.0
  Mg  Mg9  1  0.2  0.16  0.67  1.0
  Mg  Mg10  1  0.39  0.49  0.01  1.0
  Mg  Mg11  1  0.91  0.49  0.17  1.0
  In  In0  1  0.11  0.16  0.37  1.0
  In  In1  1  0.08  0.49  0.71  1.0
  In  In2  1  0.31  0.16  0.61  1.0
  In  In3  1  0.28  0.49  0.95  1.0

data_Mg2In
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.65
_cell_length_b   6.39
_cell_length_c   9.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Mg2In
_chemical_formula_sum   'Mg8 In4'
_cell_volume   276.76
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.34  0.31  0.65  1.0
  Mg  Mg1  2  0.34  0.5  0.01  1.0
  Mg  Mg2  2  0.34  0.78  0.49  1.0
  Mg  Mg3  2  0.34  0.98  0.85  1.0
  In  In4  2  0.34  0.42  0.71  1.0
  In  In5  2  0.34  0.61  0.95  1.0

Mg Mg Mg Mg Mg Mg Mg Mg In In In In