# generated using pymatgen
data_YScN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77982406
_cell_length_b   5.77982406
_cell_length_c   5.77982413
_cell_angle_alpha   33.63053354
_cell_angle_beta   33.63053354
_cell_angle_gamma   33.63052923
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScN2
_chemical_formula_sum   'Y1 Sc1 N2'
_cell_volume   52.75947197
_cell_formula_units_Z   1
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
  Y  Y0  1  0.50000000  0.50000000  0.50000000  1.0
  Sc  Sc1  1  0.00000000  0.00000000  0.00000000  1.0
  N  N2  1  0.25501300  0.25501300  0.25501300  1.0
  N  N3  1  0.74498700  0.74498700  0.74498700  1.0