# generated using pymatgen
data_Mg3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.30956280
_cell_length_b   15.63355351
_cell_length_c   47.20939827
_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   3180.67564289
_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  1.005126  0.490882  0.339695  1
  Mg  Mg2  1  1.005126  0.253584  0.284546  1
  Mg  Mg3  1  1.005126  0.875187  0.312380  1
  Mg  Mg4  1  0.505126  0.759092  0.285411  1
  Mg  Mg5  1  0.505126  0.370824  0.314010  1
  Mg  Mg6  1  0.505126  0.988699  0.339333  1
  Mg  Mg7  1  0.505126  0.568200  0.299252  1
  Mg  Mg8  1  0.505126  0.182220  0.324753  1
  Mg  Mg9  1  0.505126  0.961149  0.274158  1
  Mg  Mg10  1  1.005126  0.336093  0.414881  1
  Mg  Mg11  1  1.005126  0.106032  0.364095  1
  Mg  Mg12  1  1.005126  0.720160  0.389042  1
  Mg  Mg13  1  0.505126  0.605198  0.362965  1
  Mg  Mg14  1  0.505126  0.220665  0.388935  1
  Mg  Mg15  1  0.505126  0.835339  0.414885  1
  Mg  Mg16  1  0.505126  0.413627  0.376414  1
  Mg  Mg17  1  0.505126  0.028501  0.402213  1
  Mg  Mg18  1  0.505126  0.797912  0.350579  1
  Mg  Mg19  1  1.005126  0.181875  0.492198  1
  Mg  Mg20  1  1.005126  0.951023  0.440700  1
  Mg  Mg21  1  1.005126  0.566524  0.466608  1
  Mg  Mg22  1  0.505126  0.451198  0.440789  1
  Mg  Mg23  1  0.505126  0.066424  0.466475  1
  Mg  Mg24  1  0.505126  0.681598  0.492204  1
  Mg  Mg25  1  0.505126  0.258908  0.453516  1
  Mg  Mg26  1  0.505126  0.873900  0.479275  1
  Mg  Mg27  1  0.505126  0.643370  0.427611  1
  Mg  Mg28  1  1.005126  0.027450  0.569228  1
  Mg  Mg29  1  1.005126  0.796752  0.517874  1
  Mg  Mg30  1  1.005126  0.412448  0.543879  1
  Mg  Mg31  1  0.505126  0.297220  0.517986  1
  Mg  Mg32  1  0.505126  0.912088  0.543608  1
  Mg  Mg33  1  0.505126  0.527633  0.569682  1
  Mg  Mg34  1  0.505126  0.104660  0.530708  1
  Mg  Mg35  1  0.505126  0.719715  0.556674  1
  Mg  Mg36  1  0.505126  0.489419  0.505228  1
  Mg  Mg37  1  1.005126  0.873066  0.645510  1
  Mg  Mg38  1  1.005126  0.642728  0.595455  1
  Mg  Mg39  1  1.005126  0.258204  0.620776  1
  Mg  Mg40  1  0.505126  0.143249  0.594927  1
  Mg  Mg41  1  0.505126  0.757849  0.621179  1
  Mg  Mg42  1  0.505126  0.373008  0.646695  1
  Mg  Mg43  1  0.505126  0.950250  0.607958  1
  Mg  Mg44  1  0.505126  0.565124  0.634103  1
  Mg  Mg45  1  0.505126  0.335485  0.582504  1
  Mg  Mg46  1  1.005126  0.727276  0.724301  1
  Mg  Mg47  1  1.005126  0.488144  0.672891  1
  Mg  Mg48  1  1.005126  0.100952  0.697687  1
  Mg  Mg49  1  0.505126  0.990129  0.670985  1
  Mg  Mg50  1  0.505126  0.604237  0.699102  1
  Mg  Mg51  1  0.505126  0.212517  0.723801  1
  Mg  Mg52  1  0.505126  0.797175  0.684128  1
  Mg  Mg53  1  0.505126  0.407676  0.711781  1
  Mg  Mg54  1  0.505126  0.180323  0.658939  1
  Al  Al55  1  1.005126  0.683671  0.325777  1
  Al  Al56  1  1.005126  0.446872  0.281111  1
  Al  Al57  1  1.005126  0.065914  0.303163  1
  Al  Al58  1  1.005126  0.528637  0.402482  1
  Al  Al59  1  1.005126  0.297252  0.351314  1
  Al  Al60  1  1.005126  0.912275  0.376781  1
  Al  Al61  1  1.005126  0.374179  0.479392  1
  Al  Al62  1  1.005126  0.143733  0.427972  1
  Al  Al63  1  1.005126  0.758545  0.453557  1
  Al  Al64  1  1.005126  0.220224  0.556447  1
  Al  Al65  1  1.005126  0.989240  0.505003  1
  Al  Al66  1  1.005126  0.604578  0.530956  1
  Al  Al67  1  1.005126  0.066272  0.632876  1
  Al  Al68  1  1.005126  0.834791  0.582083  1
  Al  Al69  1  1.005126  0.450563  0.608326  1
  Al  Al70  1  1.005126  0.913116  0.706233  1
  Al  Al71  1  1.005126  0.680136  0.659434  1
  Al  Al72  1  1.005126  0.294604  0.683748  1
