data_MgIn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43
_cell_length_b   6.43
_cell_length_c   7.68
_cell_angle_alpha   105.89
_cell_angle_beta   105.89
_cell_angle_gamma   30.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIn5
_chemical_formula_sum   'Mg1 In5'
_cell_volume   156.57
_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  Mg5  1  0.91  0.0  0.95  1.0
  In  In0  1  0.87  0.0  0.36  1.0
  In  In1  1  0.19  0.0  0.99  1.0
  In  In2  1  0.55  0.0  0.45  1.0
  In  In3  1  0.36  0.0  0.51  1.0
  In  In4  1  0.64  0.0  0.97  1.0

data_MgIn5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   6.43
_cell_length_c   7.68
_cell_angle_alpha   105.89
_cell_angle_beta   90.0
_cell_angle_gamma   105.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIn5
_chemical_formula_sum   'Mg1 In5'
_cell_volume   156.57
_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  0.09  0.05  1.0
  In  In1  1  0.0  0.13  0.64  1.0
  In  In2  1  0.0  0.36  0.03  1.0
  In  In3  1  0.0  0.45  0.55  1.0
  In  In4  1  0.0  0.64  0.49  1.0
  In  In5  1  0.0  0.81  0.01  1.0

Mg In In In In In