# generated using pymatgen
data_ScAlN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39823000
_cell_length_b   4.39970600
_cell_length_c   5.22531131
_cell_angle_alpha   114.89770076
_cell_angle_beta   114.88876820
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAlN2
_chemical_formula_sum   'Sc2 Al2 N4'
_cell_volume   81.24718422
_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
  Sc  Sc0  1  0.62498900  0.87498900  0.74997800  1.0
  Sc  Sc1  1  0.37501100  0.12501100  0.25002200  1.0
  Al  Al2  1  0.12501500  0.37501500  0.75003200  1.0
  Al  Al3  1  0.87498500  0.62498500  0.24996800  1.0
  N  N4  1  0.36251400  0.61251400  0.22502800  1.0
  N  N5  1  0.63748600  0.38748600  0.77497200  1.0
  N  N6  1  0.88747600  0.13747600  0.27495200  1.0
  N  N7  1  0.11252400  0.86252400  0.72504800  1.0