# generated using pymatgen
data_MnAlN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48955753
_cell_length_b   4.48955753
_cell_length_c   8.97038227
_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   'Mn4 Al4 N8'
_cell_volume   180.80816261
_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  0.50000000  0.00000000  0.25000000  1
  Mn  Mn1  1  0.50000000  0.50000000  0.00000000  1
  Mn  Mn2  1  0.00000000  0.50000000  0.75000000  1
  Mn  Mn3  1  0.00000000  0.00000000  0.50000000  1
  Al  Al4  1  0.00000000  0.50000000  0.25000000  1
  Al  Al5  1  0.00000000  0.00000000  0.00000000  1
  Al  Al6  1  0.50000000  0.00000000  0.75000000  1
  Al  Al7  1  0.50000000  0.50000000  0.50000000  1
  N  N8  1  0.23548100  0.75000000  0.12500000  1
  N  N9  1  0.76451900  0.25000000  0.12500000  1
  N  N10  1  0.25000000  0.26451900  0.37500000  1
  N  N11  1  0.75000000  0.73548100  0.37500000  1
  N  N12  1  0.73548100  0.25000000  0.62500000  1
  N  N13  1  0.26451900  0.75000000  0.62500000  1
  N  N14  1  0.75000000  0.76451900  0.87500000  1
  N  N15  1  0.25000000  0.23548100  0.87500000  1
