data_MgAl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08
_cell_length_b   7.08
_cell_length_c   7.08
_cell_angle_alpha   37.86
_cell_angle_beta   37.86
_cell_angle_gamma   37.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAl6
_chemical_formula_sum   'Mg1 Al6'
_cell_volume   120.15
_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  Mg6  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.0  0.0  0.07  1.0
  Al  Al1  1  0.0  0.0  0.44  1.0
  Al  Al2  1  0.0  0.0  0.81  1.0
  Al  Al3  1  0.0  0.0  0.89  1.0
  Al  Al4  1  0.0  0.0  0.26  1.0
  Al  Al5  1  0.0  0.0  0.63  1.0

data_MgAl6
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.96
_cell_length_b   4.6
_cell_length_c   7.08
_cell_angle_alpha   90.0
_cell_angle_beta   112.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgAl6
_chemical_formula_sum   'Mg2 Al12'
_cell_volume   240.3
_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+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Al  Al1  2  -0.0  0.0  0.37  1.0
  Al  Al2  2  -0.0  0.0  0.74  1.0
  Al  Al3  2  -0.0  0.0  0.93  1.0
  Al  Al4  2  -0.0  0.0  0.19  1.0
  Al  Al5  2  -0.0  0.0  0.11  1.0
  Al  Al6  2  0.0  0.0  0.56  1.0

Mg Al Al Al Al Al Al