[CIF]
data_MgAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42268153
_cell_length_b   4.62447835
_cell_length_c   5.66380614
_cell_angle_alpha   90.00000000
_cell_angle_beta   100.02498786
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAl3
_chemical_formula_sum   'Mg2 Al6'
_cell_volume   139.86313200
_cell_formula_units_Z   2
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
  Al  Al0  1  3.94376839  3.46835876  4.53158123  1
  Al  Al1  1  -0.00000000  1.15611959  3.83441488  1
  Al  Al2  1  1.47891315  3.46835876  3.13724854  1
  Al  Al3  1  2.95782629  1.15611959  2.44008220  1
  Al  Al4  1  4.43673944  3.46835876  1.74291586  1
  Al  Al5  1  0.49297105  1.15611959  1.04574951  1
  Mg  Mg6  1  1.97188419  3.46835876  0.34858317  1
  Mg  Mg7  1  2.46485524  1.15611959  5.22874757  1
[/CIF]
