# generated using pymatgen
data_MnAl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91043169
_cell_length_b   4.91043265
_cell_length_c   8.75733792
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.90861116
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAl6
_chemical_formula_sum   'Mn2 Al12'
_cell_volume   208.61263914
_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  0.54148376  0.54148376  0.75000000  1.0
  Mn  Mn1  1  0.45851624  0.45851624  0.25000000  1.0
  Al  Al2  1  0.02920230  0.39629927  0.75000000  1.0
  Al  Al3  1  0.97079770  0.60370073  0.25000000  1.0
  Al  Al4  1  0.32678622  0.67321378  -0.00000000  1.0
  Al  Al5  1  0.67321378  0.32678622  0.50000000  1.0
  Al  Al6  1  0.67321378  0.32678622  -0.00000000  1.0
  Al  Al7  1  0.32678622  0.67321378  0.50000000  1.0
  Al  Al8  1  0.14182778  0.14182778  0.10044013  1.0
  Al  Al9  1  0.85817222  0.85817222  0.60043913  1.0
  Al  Al10  1  0.14182778  0.14182778  0.39956087  1.0
  Al  Al11  1  0.85817222  0.85817222  0.89956087  1.0
  Al  Al12  1  0.60370073  0.97079770  0.25000000  1.0
  Al  Al13  1  0.39629927  0.02920230  0.75000000  1.0