data_MgIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.46
_cell_length_b   14.46
_cell_length_c   14.46
_cell_angle_alpha   161.67
_cell_angle_beta   161.67
_cell_angle_gamma   26.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIn2
_chemical_formula_sum   'Mg4 In8'
_cell_volume   298.8
_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  Mg8  1  0.0  0.3  0.72  1.0
  Mg  Mg9  1  0.0  0.3  0.36  1.0
  Mg  Mg10  1  0.0  0.0  0.85  1.0
  Mg  Mg11  1  0.0  0.0  0.32  1.0
  In  In0  1  0.3  0.0  0.08  1.0
  In  In1  1  0.3  0.0  0.0  1.0
  In  In2  1  0.0  0.0  0.13  1.0
  In  In3  1  0.0  0.0  0.04  1.0
  In  In4  1  0.3  0.0  0.47  1.0
  In  In5  1  0.3  0.0  0.62  1.0
  In  In6  1  0.0  0.0  0.51  1.0
  In  In7  1  0.0  0.0  0.66  1.0

data_MgIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   14.46
_cell_angle_alpha   99.17
_cell_angle_beta   99.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIn2
_chemical_formula_sum   'Mg4 In8'
_cell_volume   298.8
_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  Mg0  1  0.15  0.0  0.15  1.0
  Mg  Mg1  1  0.58  0.3  0.58  1.0
  Mg  Mg2  1  0.68  0.0  0.68  1.0
  Mg  Mg3  1  0.94  0.3  0.94  1.0
  In  In4  1  0.34  0.0  0.34  1.0
  In  In5  1  0.38  0.0  0.68  1.0
  In  In6  1  0.49  0.0  0.49  1.0
  In  In7  1  0.53  0.0  0.84  1.0
  In  In8  1  0.87  0.0  0.87  1.0
  In  In9  1  0.92  0.0  0.22  1.0
  In  In10  1  0.96  0.0  0.96  1.0
  In  In11  1  1.0  0.0  0.3  1.0

Mg Mg Mg Mg In In In In In In In In
Mg Mg Mg Mg In In In In In In In In 0 3 o o o 0 10 o o o 1 7 o o o 1 6 o o o 2 4 o o + 3 9 o o o 4 5 o o o 5 11 o o - 6 7 o o o 6 8 o o o 