# generated using pymatgen
data_Mg3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42599987
_cell_length_b   4.08757349
_cell_length_c   48.50451907
_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   'Mg15 Al5'
_cell_volume   877.524343123
_cell_formula_units_Z   5
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  0.485878  1.026106  0.327998  1
  Mg  Mg2  1  0.985878  0.526106  0.328436  1
  Mg  Mg3  1  0.485878  0.526106  0.281336  1
  Mg  Mg4  1  0.485878  1.026106  0.419018  1
  Mg  Mg5  1  0.985878  0.526106  0.419058  1
  Mg  Mg6  1  0.485878  0.526106  0.373351  1
  Mg  Mg7  1  0.485878  1.026106  0.510513  1
  Mg  Mg8  1  0.985878  0.526106  0.510509  1
  Mg  Mg9  1  0.485878  0.526106  0.464764  1
  Mg  Mg10  1  0.485878  1.026106  0.601909  1
  Mg  Mg11  1  0.985878  0.526106  0.601823  1
  Mg  Mg12  1  0.485878  0.526106  0.556239  1
  Mg  Mg13  1  0.485878  1.026106  0.692404  1
  Mg  Mg14  1  0.985878  0.526106  0.691042  1
  Mg  Mg15  1  0.485878  0.526106  0.647068  1
  Al  Al16  1  0.985878  1.026106  0.286968  1
  Al  Al17  1  0.985878  1.026106  0.373380  1
  Al  Al18  1  0.985878  1.026106  0.464779  1
  Al  Al19  1  0.985878  1.026106  0.556226  1
  Al  Al20  1  0.985878  1.026106  0.647097  1
