# generated using pymatgen
data_Al2NiN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.40428946
_cell_length_b   5.48880379
_cell_length_c   4.97149038
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2NiN3
_chemical_formula_sum   'Al8 Ni4 N12'
_cell_volume   256.61988004
_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
  Al  Al0  1  0.83781200  0.16908900  0.50773400  1
  Al  Al1  1  0.83781200  0.83091100  0.50773400  1
  Al  Al2  1  0.16218800  0.83091100  0.00773400  1
  Al  Al3  1  0.16218800  0.16908900  0.00773400  1
  Al  Al4  1  0.33781200  0.66908900  0.50773400  1
  Al  Al5  1  0.33781200  0.33091100  0.50773400  1
  Al  Al6  1  0.66218800  0.33091100  0.00773400  1
  Al  Al7  1  0.66218800  0.66908900  0.00773400  1
  Ni  Ni8  1  0.85365700  0.50000000  0.50534600  1
  Ni  Ni9  1  0.14634300  0.50000000  0.00534600  1
  Ni  Ni10  1  0.35365700  0.00000000  0.50534600  1
  Ni  Ni11  1  0.64634300  0.00000000  0.00534600  1
  N  N12  1  0.83731800  0.17016600  0.12824000  1
  N  N13  1  0.83731800  0.82983400  0.12824000  1
  N  N14  1  0.16268200  0.82983400  0.62824000  1
  N  N15  1  0.16268200  0.17016600  0.62824000  1
  N  N16  1  0.82069500  0.50000000  0.13470600  1
  N  N17  1  0.17930500  0.50000000  0.63470600  1
  N  N18  1  0.33731800  0.67016600  0.12824000  1
  N  N19  1  0.33731800  0.32983400  0.12824000  1
  N  N20  1  0.66268200  0.32983400  0.62824000  1
  N  N21  1  0.66268200  0.67016600  0.62824000  1
  N  N22  1  0.32069500  0.00000000  0.13470600  1
  N  N23  1  0.67930500  0.00000000  0.63470600  1
