# generated using pymatgen
data_MnAlN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19125617
_cell_length_b   10.62242449
_cell_length_c   12.93885471
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAlN2
_chemical_formula_sum   'Mn16 Al16 N32'
_cell_volume   713.49666760
_cell_formula_units_Z   16
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  0.65803500  0.95261900  0.44111600  1
  Mn  Mn1  1  0.15803500  0.54738100  0.55888400  1
  Mn  Mn2  1  0.34196500  0.45261900  0.05888400  1
  Mn  Mn3  1  0.84196500  0.04738100  0.94111600  1
  Mn  Mn4  1  0.34196500  0.04738100  0.55888400  1
  Mn  Mn5  1  0.84196500  0.45261900  0.44111600  1
  Mn  Mn6  1  0.65803500  0.54738100  0.94111600  1
  Mn  Mn7  1  0.15803500  0.95261900  0.05888400  1
  Mn  Mn8  1  0.80934400  0.29423900  0.30657800  1
  Mn  Mn9  1  0.30934400  0.20576100  0.69342200  1
  Mn  Mn10  1  0.19065600  0.79423900  0.19342200  1
  Mn  Mn11  1  0.69065600  0.70576100  0.80657800  1
  Mn  Mn12  1  0.19065600  0.70576100  0.69342200  1
  Mn  Mn13  1  0.69065600  0.79423900  0.30657800  1
  Mn  Mn14  1  0.80934400  0.20576100  0.80657800  1
  Mn  Mn15  1  0.30934400  0.29423900  0.19342200  1
  Al  Al16  1  0.63011800  0.03864200  0.18533400  1
  Al  Al17  1  0.13011800  0.46135800  0.81466600  1
  Al  Al18  1  0.36988200  0.53864200  0.31466600  1
  Al  Al19  1  0.86988200  0.96135800  0.68533400  1
  Al  Al20  1  0.36988200  0.96135800  0.81466600  1
  Al  Al21  1  0.86988200  0.53864200  0.18533400  1
  Al  Al22  1  0.63011800  0.46135800  0.68533400  1
  Al  Al23  1  0.13011800  0.03864200  0.31466600  1
  Al  Al24  1  0.80825000  0.29097100  0.06399600  1
  Al  Al25  1  0.30825000  0.20902900  0.93600400  1
  Al  Al26  1  0.19175000  0.79097100  0.43600400  1
  Al  Al27  1  0.69175000  0.70902900  0.56399600  1
  Al  Al28  1  0.19175000  0.70902900  0.93600400  1
  Al  Al29  1  0.69175000  0.79097100  0.06399600  1
  Al  Al30  1  0.80825000  0.20902900  0.56399600  1
  Al  Al31  1  0.30825000  0.29097100  0.43600400  1
  N  N32  1  0.70906100  0.47503000  0.30545300  1
  N  N33  1  0.20906100  0.02497000  0.69454700  1
  N  N34  1  0.29093900  0.97503000  0.19454700  1
  N  N35  1  0.79093900  0.52497000  0.80545300  1
  N  N36  1  0.29093900  0.52497000  0.69454700  1
  N  N37  1  0.79093900  0.97503000  0.30545300  1
  N  N38  1  0.70906100  0.02497000  0.80545300  1
  N  N39  1  0.20906100  0.47503000  0.19454700  1
  N  N40  1  0.67374100  0.28942500  0.44579500  1
  N  N41  1  0.17374100  0.21057500  0.55420500  1
  N  N42  1  0.32625900  0.78942500  0.05420500  1
  N  N43  1  0.82625900  0.71057500  0.94579500  1
  N  N44  1  0.32625900  0.71057500  0.55420500  1
  N  N45  1  0.82625900  0.78942500  0.44579500  1
  N  N46  1  0.67374100  0.21057500  0.94579500  1
  N  N47  1  0.17374100  0.28942500  0.05420500  1
  N  N48  1  0.70743600  0.46410400  0.06938800  1
  N  N49  1  0.20743600  0.03589600  0.93061200  1
  N  N50  1  0.29256400  0.96410400  0.43061200  1
  N  N51  1  0.79256400  0.53589600  0.56938800  1
  N  N52  1  0.29256400  0.53589600  0.93061200  1
  N  N53  1  0.79256400  0.96410400  0.06938800  1
  N  N54  1  0.70743600  0.03589600  0.56938800  1
  N  N55  1  0.20743600  0.46410400  0.43061200  1
  N  N56  1  0.65234000  0.21505400  0.18157900  1
  N  N57  1  0.15234000  0.28494600  0.81842100  1
  N  N58  1  0.34766000  0.71505400  0.31842100  1
  N  N59  1  0.84766000  0.78494600  0.68157900  1
  N  N60  1  0.34766000  0.78494600  0.81842100  1
  N  N61  1  0.84766000  0.71505400  0.18157900  1
  N  N62  1  0.65234000  0.28494600  0.68157900  1
  N  N63  1  0.15234000  0.21505400  0.31842100  1
