# generated using pymatgen
data_Mn2Al2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.73718338
_cell_length_b   2.73718338
_cell_length_c   17.03787154
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Al2Cu
_chemical_formula_sum   'Mn4 Al4 Cu2'
_cell_volume   127.65067867
_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
  Mn  Mn0  1  0.50000000  0.50000000  0.31334900  1
  Mn  Mn1  1  0.00000000  0.00000000  0.38791000  1
  Mn  Mn2  1  0.00000000  0.00000000  0.81334900  1
  Mn  Mn3  1  0.50000000  0.50000000  0.88791000  1
  Al  Al4  1  0.50000000  0.50000000  0.09040200  1
  Al  Al5  1  0.00000000  0.00000000  0.21754800  1
  Al  Al6  1  0.00000000  0.00000000  0.59040200  1
  Al  Al7  1  0.50000000  0.50000000  0.71754800  1
  Cu  Cu8  1  0.50000000  0.50000000  0.49079100  1
  Cu  Cu9  1  0.00000000  0.00000000  0.99079100  1
