# generated using pymatgen
data_MnAl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.53941566
_cell_length_b   6.46030455
_cell_length_c   8.81915296
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAl6
_chemical_formula_sum   'Mn4 Al24'
_cell_volume   429.55378909
_cell_formula_units_Z   4
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  0.54314100  0.00000000  0.75000000  1
  Mn  Mn1  1  0.45685900  0.00000000  0.25000000  1
  Mn  Mn2  1  0.04314100  0.50000000  0.75000000  1
  Mn  Mn3  1  0.95685900  0.50000000  0.25000000  1
  Al  Al4  1  0.21374000  0.81754100  0.75000000  1
  Al  Al5  1  0.78626000  0.18245900  0.25000000  1
  Al  Al6  1  0.50000000  0.82666400  0.00000000  1
  Al  Al7  1  0.50000000  0.17333600  0.50000000  1
  Al  Al8  1  0.50000000  0.17333600  0.00000000  1
  Al  Al9  1  0.50000000  0.82666400  0.50000000  1
  Al  Al10  1  0.14022800  0.00000000  0.10042300  1
  Al  Al11  1  0.85977200  0.00000000  0.60042300  1
  Al  Al12  1  0.14022800  0.00000000  0.39957700  1
  Al  Al13  1  0.85977200  0.00000000  0.89957700  1
  Al  Al14  1  0.78626000  0.81754100  0.25000000  1
  Al  Al15  1  0.21374000  0.18245900  0.75000000  1
  Al  Al16  1  0.71374000  0.31754100  0.75000000  1
  Al  Al17  1  0.28626000  0.68245900  0.25000000  1
  Al  Al18  1  0.00000000  0.32666400  0.00000000  1
  Al  Al19  1  0.00000000  0.67333600  0.50000000  1
  Al  Al20  1  0.00000000  0.67333600  0.00000000  1
  Al  Al21  1  0.00000000  0.32666400  0.50000000  1
  Al  Al22  1  0.64022800  0.50000000  0.10042300  1
  Al  Al23  1  0.35977200  0.50000000  0.60042300  1
  Al  Al24  1  0.64022800  0.50000000  0.39957700  1
  Al  Al25  1  0.35977200  0.50000000  0.89957700  1
  Al  Al26  1  0.28626000  0.31754100  0.25000000  1
  Al  Al27  1  0.71374000  0.68245900  0.75000000  1
