data_LiMgAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   8.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMgAl2
_chemical_formula_sum   'Li1 Mg1 Al2'
_cell_volume   72.77
_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
  Li  Li2  1  0.0  0.0  0.2  1.0
  Mg  Mg3  1  0.45  0.45  0.53  1.0
  Al  Al0  1  0.0  0.0  0.13  1.0
  Al  Al1  1  0.45  0.45  0.14  1.0

data_LiMgAl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   8.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiMgAl2
_chemical_formula_sum   'Li2 Mg2 Al4'
_cell_volume   145.54
_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
  Li  Li0  2  0.0  0.0  0.2  1.0
  Mg  Mg1  2  0.45  0.0  0.53  1.0
  Al  Al2  2  0.0  0.0  0.13  1.0
  Al  Al3  2  0.45  0.0  0.14  1.0

Li Mg Al Al
Li Mg Al Al 0 2 o o o 0 1 o o o 0 3 o o o 0 3 o - o 0 3 - o o 0 3 - - o 1 1 + o o 1 1 o + o 1 3 o o o 2 3 o o o 2 3 o - o 2 3 - o o 2 3 - - o 