# generated using pymatgen
data_MnAl12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.50085180
_cell_length_b   7.50085180
_cell_length_c   7.50085180
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAl12
_chemical_formula_sum   'Mn2 Al24'
_cell_volume   422.01875758
_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  0.00000000  0.00000000  0.00000000  1
  Mn  Mn1  1  0.50000000  0.50000000  0.50000000  1
  Al  Al2  1  0.31377100  0.50000000  0.80299600  1
  Al  Al3  1  0.18622900  0.00000000  0.69700400  1
  Al  Al4  1  0.31377100  0.50000000  0.19700400  1
  Al  Al5  1  0.18622900  0.00000000  0.30299600  1
  Al  Al6  1  0.50000000  0.80299600  0.31377100  1
  Al  Al7  1  0.00000000  0.69700400  0.18622900  1
  Al  Al8  1  0.50000000  0.19700400  0.31377100  1
  Al  Al9  1  0.00000000  0.30299600  0.18622900  1
  Al  Al10  1  0.80299600  0.31377100  0.50000000  1
  Al  Al11  1  0.69700400  0.18622900  0.00000000  1
  Al  Al12  1  0.19700400  0.31377100  0.50000000  1
  Al  Al13  1  0.30299600  0.18622900  0.00000000  1
  Al  Al14  1  0.81377100  0.00000000  0.30299600  1
  Al  Al15  1  0.68622900  0.50000000  0.19700400  1
  Al  Al16  1  0.81377100  0.00000000  0.69700400  1
  Al  Al17  1  0.68622900  0.50000000  0.80299600  1
  Al  Al18  1  0.00000000  0.30299600  0.81377100  1
  Al  Al19  1  0.50000000  0.19700400  0.68622900  1
  Al  Al20  1  0.00000000  0.69700400  0.81377100  1
  Al  Al21  1  0.50000000  0.80299600  0.68622900  1
  Al  Al22  1  0.30299600  0.81377100  0.00000000  1
  Al  Al23  1  0.19700400  0.68622900  0.50000000  1
  Al  Al24  1  0.69700400  0.81377100  0.00000000  1
  Al  Al25  1  0.80299600  0.68622900  0.50000000  1
