# generated using pymatgen
data_Mg3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07465501
_cell_length_b   15.89342235
_cell_length_c   47.90834854
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Al
_chemical_formula_sum   'Mg54 Al18'
_cell_volume   3102.55485997
_cell_formula_units_Z   18
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  Mg1  1  1.027774  0.476137  0.324318  1
  Mg  Mg2  1  1.027774  0.236215  0.272151  1
  Mg  Mg3  1  1.027774  0.862992  0.298988  1
  Mg  Mg4  1  0.527774  0.745245  0.273146  1
  Mg  Mg5  1  0.527774  0.354704  0.299898  1
  Mg  Mg6  1  0.527774  0.974939  0.326628  1
  Mg  Mg7  1  0.527774  0.553238  0.284279  1
  Mg  Mg8  1  0.527774  0.167013  0.312798  1
  Mg  Mg9  1  0.527774  0.955170  0.262347  1
  Mg  Mg10  1  1.027774  0.322336  0.401596  1
  Mg  Mg11  1  1.027774  0.091962  0.351938  1
  Mg  Mg12  1  1.027774  0.706354  0.375241  1
  Mg  Mg13  1  0.527774  0.591077  0.349115  1
  Mg  Mg14  1  0.527774  0.207415  0.376394  1
  Mg  Mg15  1  0.527774  0.821516  0.401312  1
  Mg  Mg16  1  0.527774  0.399206  0.362809  1
  Mg  Mg17  1  0.527774  0.014836  0.389904  1
  Mg  Mg18  1  0.527774  0.783370  0.336746  1
  Mg  Mg19  1  1.027774  0.167883  0.479598  1
  Mg  Mg20  1  1.027774  0.936770  0.427674  1
  Mg  Mg21  1  1.027774  0.551822  0.452981  1
  Mg  Mg22  1  0.527774  0.437083  0.427375  1
  Mg  Mg23  1  0.527774  0.052355  0.453888  1
  Mg  Mg24  1  0.527774  0.666580  0.478459  1
  Mg  Mg25  1  0.527774  0.245361  0.440775  1
  Mg  Mg26  1  0.527774  0.859081  0.465758  1
  Mg  Mg27  1  0.527774  0.628966  0.413864  1
  Mg  Mg28  1  1.027774  0.012879  0.556256  1
  Mg  Mg29  1  1.027774  0.781476  0.504148  1
  Mg  Mg30  1  1.027774  0.397602  0.531036  1
  Mg  Mg31  1  0.527774  0.282807  0.505316  1
  Mg  Mg32  1  0.527774  0.897116  0.529955  1
  Mg  Mg33  1  0.527774  0.512231  0.556802  1
  Mg  Mg34  1  0.527774  0.090390  0.518113  1
  Mg  Mg35  1  0.527774  0.703708  0.542888  1
  Mg  Mg36  1  0.527774  0.474760  0.492046  1
  Mg  Mg37  1  1.027774  0.857820  0.631038  1
  Mg  Mg38  1  1.027774  0.626954  0.582266  1
  Mg  Mg39  1  1.027774  0.242758  0.608601  1
  Mg  Mg40  1  0.527774  0.127859  0.582656  1
  Mg  Mg41  1  0.527774  0.741966  0.606928  1
  Mg  Mg42  1  0.527774  0.358994  0.634141  1
  Mg  Mg43  1  0.527774  0.935202  0.593864  1
  Mg  Mg44  1  0.527774  0.551548  0.621505  1
  Mg  Mg45  1  0.527774  0.320270  0.569931  1
  Mg  Mg46  1  1.027774  0.719261  0.710638  1
  Mg  Mg47  1  1.027774  0.474745  0.659706  1
  Mg  Mg48  1  1.027774  0.086745  0.685963  1
  Mg  Mg49  1  0.527774  0.974893  0.657108  1
  Mg  Mg50  1  0.527774  0.594108  0.685612  1
  Mg  Mg51  1  0.527774  0.210729  0.710023  1
  Mg  Mg52  1  0.527774  0.782005  0.669670  1
  Mg  Mg53  1  0.527774  0.394522  0.697934  1
  Mg  Mg54  1  0.527774  0.165685  0.647268  1
  Al  Al55  1  1.027774  0.668359  0.311864  1
  Al  Al56  1  1.027774  0.426134  0.266642  1
  Al  Al57  1  1.027774  0.053425  0.291684  1
  Al  Al58  1  1.027774  0.514560  0.388453  1
  Al  Al59  1  1.027774  0.282517  0.336875  1
  Al  Al60  1  1.027774  0.898617  0.363288  1
  Al  Al61  1  1.027774  0.359995  0.466349  1
  Al  Al62  1  1.027774  0.130395  0.415585  1
  Al  Al63  1  1.027774  0.743918  0.439759  1
  Al  Al64  1  1.027774  0.205395  0.544035  1
  Al  Al65  1  1.027774  0.974743  0.491963  1
  Al  Al66  1  1.027774  0.589308  0.517599  1
  Al  Al67  1  1.027774  0.051048  0.620964  1
  Al  Al68  1  1.027774  0.819006  0.567927  1
  Al  Al69  1  1.027774  0.435514  0.595745  1
  Al  Al70  1  1.027774  0.896006  0.690549  1
  Al  Al71  1  1.027774  0.667532  0.646868  1
  Al  Al72  1  1.027774  0.280590  0.670952  1
