# generated using pymatgen
data_Mn3AlN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23317540
_cell_length_b   3.98811880
_cell_length_c   6.56285578
_cell_angle_alpha   90.00000000
_cell_angle_beta   110.90741302
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3AlN3
_chemical_formula_sum   'Mn6 Al2 N6'
_cell_volume   152.40203901
_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  0.82946600  0.25000000  0.12754000  1
  Mn  Mn1  1  0.27434600  0.25000000  0.18183300  1
  Mn  Mn2  1  0.89174000  0.25000000  0.60994800  1
  Mn  Mn3  1  0.17053400  0.75000000  0.87246000  1
  Mn  Mn4  1  0.72565400  0.75000000  0.81816700  1
  Mn  Mn5  1  0.10826000  0.75000000  0.39005200  1
  Al  Al6  1  0.62723400  0.75000000  0.31963600  1
  Al  Al7  1  0.37276600  0.25000000  0.68036400  1
  N  N8  1  0.78395700  0.75000000  0.12484100  1
  N  N9  1  0.30963500  0.75000000  0.20773600  1
  N  N10  1  0.88089800  0.75000000  0.58509700  1
  N  N11  1  0.21604300  0.25000000  0.87515900  1
  N  N12  1  0.69036500  0.25000000  0.79226400  1
  N  N13  1  0.11910200  0.25000000  0.41490300  1
