data_LaMgAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   121.08
_cell_angle_beta   121.08
_cell_angle_gamma   88.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMgAl2
_chemical_formula_sum   'La1 Mg1 Al2'
_cell_volume   92.08
_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
  La  La2  1  0.0  0.0  0.66  1.0
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.0  0.51  0.83  1.0
  Al  Al1  1  0.51  0.0  0.83  1.0

data_LaMgAl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.09
_cell_length_b   7.09
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   134.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaMgAl2
_chemical_formula_sum   'La2 Mg2 Al4'
_cell_volume   184.16
_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
  La  La0  2  0.34  0.0  0.34  1.0
  Mg  Mg1  2  0.0  0.0  0.0  1.0
  Al  Al2  4  0.42  0.25  0.68  1.0

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