# generated using pymatgen
data_Sc5N4O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.50681830
_cell_length_b   5.50592638
_cell_length_c   5.50791742
_cell_angle_alpha   99.59293251
_cell_angle_beta   99.57787051
_cell_angle_gamma   131.84634825
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc5N4O
_chemical_formula_sum   'Sc5 N4 O1'
_cell_volume   113.57007210
_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
  Sc  Sc0  1  0.69446441  0.89647993  0.59091061  1.0
  Sc  Sc1  1  0.89648701  0.30554369  0.20197643  1.0
  Sc  Sc2  1  0.10351299  0.69445631  0.79802357  1.0
  Sc  Sc3  1  0.30553559  0.10352007  0.40908939  1.0
  Sc  Sc4  1  0.50000000  0.50000000  0.00000000  1.0
  N  N5  1  0.20198367  0.40030797  0.60223122  1.0
  N  N6  1  0.40025833  0.79796369  0.19827651  1.0
  N  N7  1  0.59974167  0.20203631  0.80172349  1.0
  N  N8  1  0.79801633  0.59969203  0.39776878  1.0
  O  O9  1  0.00000000  0.00000000  0.00000000  1.0