# generated using pymatgen
data_ZrSc2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55436342
_cell_length_b   5.55436370
_cell_length_c   5.55436276
_cell_angle_alpha   146.43027683
_cell_angle_beta   131.92076649
_cell_angle_gamma   59.91290896
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSc2N3
_chemical_formula_sum   'Zr1 Sc2 N3'
_cell_volume   69.86125518
_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
  Zr  Zr0  1  0.00000000  0.00000000  0.00000000  1.0
  Sc  Sc1  1  0.66773963  0.66773963  1.00000000  1.0
  Sc  Sc2  1  0.33226037  0.33226037  0.00000000  1.0
  N  N3  1  0.83447593  0.33447593  0.50000000  1.0
  N  N4  1  0.50000000  0.00000000  0.50000000  1.0
  N  N5  1  0.16552407  0.66552407  0.50000000  1.0