# generated using pymatgen
data_Sr3ScN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.98770200
_cell_length_b   7.98770133
_cell_length_c   5.38754400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99977428
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3ScN3
_chemical_formula_sum   'Sr6 Sc2 N6'
_cell_volume   297.69128529
_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
  Sr  Sr0  1  0.92971600  0.65786600  0.25000000  1.0
  Sr  Sr1  1  0.72815000  0.07027900  0.25000000  1.0
  Sr  Sr2  1  0.34212900  0.27184800  0.25000000  1.0
  Sr  Sr3  1  0.07028400  0.34213400  0.75000000  1.0
  Sr  Sr4  1  0.27185000  0.92972100  0.75000000  1.0
  Sr  Sr5  1  0.65787100  0.72815200  0.75000000  1.0
  Sc  Sc6  1  0.66664200  0.33332400  0.75000000  1.0
  Sc  Sc7  1  0.33335800  0.66667600  0.25000000  1.0
  N  N8  1  0.90266200  0.60967500  0.75000000  1.0
  N  N9  1  0.70702100  0.09734400  0.75000000  1.0
  N  N10  1  0.39032600  0.29297900  0.75000000  1.0
  N  N11  1  0.09733800  0.39032500  0.25000000  1.0
  N  N12  1  0.29297900  0.90265600  0.25000000  1.0
  N  N13  1  0.60967400  0.70702100  0.25000000  1.0