# generated using pymatgen
data_MgAl2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98317563
_cell_length_b   5.01862835
_cell_length_c   7.04954201
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.38072162
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAl2Cu
_chemical_formula_sum   'Mg2 Al4 Cu2'
_cell_volume   129.34962772
_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
  Mg  Mg0  1  0.06450079  0.12899957  0.75000000  1.0
  Mg  Mg1  1  0.93549921  0.87100043  0.25000000  1.0
  Al  Al2  1  0.35420859  0.70841618  0.94433291  1.0
  Al  Al3  1  0.35420859  0.70841618  0.55566709  1.0
  Al  Al4  1  0.64579141  0.29158382  0.05566709  1.0
  Al  Al5  1  0.64579141  0.29158382  0.44433291  1.0
  Cu  Cu6  1  0.78000525  0.56000849  0.75000000  1.0
  Cu  Cu7  1  0.21999475  0.43999151  0.25000000  1.0