# generated using pymatgen
data_Sc2Co3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.96506927
_cell_length_b   7.90449256
_cell_length_c   5.92240475
_cell_angle_alpha   90.00000000
_cell_angle_beta   98.76746207
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Co3N4
_chemical_formula_sum   'Sc8 Co12 N16'
_cell_volume   368.51661084
_cell_formula_units_Z   4
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  0.84130800  0.38528200  0.35532600  1
  Sc  Sc1  1  0.15869200  0.38528200  0.14467400  1
  Sc  Sc2  1  0.15869200  0.61471800  0.64467400  1
  Sc  Sc3  1  0.84130800  0.61471800  0.85532600  1
  Sc  Sc4  1  0.34130800  0.88528200  0.35532600  1
  Sc  Sc5  1  0.65869200  0.88528200  0.14467400  1
  Sc  Sc6  1  0.65869200  0.11471800  0.64467400  1
  Sc  Sc7  1  0.34130800  0.11471800  0.85532600  1
  Co  Co8  1  0.11886800  0.88096600  0.94750400  1
  Co  Co9  1  0.88113200  0.88096600  0.55249600  1
  Co  Co10  1  0.88113200  0.11903400  0.05249600  1
  Co  Co11  1  0.11886800  0.11903400  0.44750400  1
  Co  Co12  1  0.00000000  0.74769300  0.25000000  1
  Co  Co13  1  0.00000000  0.25230700  0.75000000  1
  Co  Co14  1  0.61886800  0.38096600  0.94750400  1
  Co  Co15  1  0.38113200  0.38096600  0.55249600  1
  Co  Co16  1  0.38113200  0.61903400  0.05249600  1
  Co  Co17  1  0.61886800  0.61903400  0.44750400  1
  Co  Co18  1  0.50000000  0.24769300  0.25000000  1
  Co  Co19  1  0.50000000  0.75230700  0.75000000  1
  N  N20  1  0.10925500  0.88000900  0.50600500  1
  N  N21  1  0.89074500  0.88000900  0.99399500  1
  N  N22  1  0.89074500  0.11999100  0.49399500  1
  N  N23  1  0.10925500  0.11999100  0.00600500  1
  N  N24  1  0.87826900  0.35758900  0.98798700  1
  N  N25  1  0.12173100  0.35758900  0.51201300  1
  N  N26  1  0.12173100  0.64241100  0.01201300  1
  N  N27  1  0.87826900  0.64241100  0.48798700  1
  N  N28  1  0.60925500  0.38000900  0.50600500  1
  N  N29  1  0.39074500  0.38000900  0.99399500  1
  N  N30  1  0.39074500  0.61999100  0.49399500  1
  N  N31  1  0.60925500  0.61999100  0.00600500  1
  N  N32  1  0.37826900  0.85758900  0.98798700  1
  N  N33  1  0.62173100  0.85758900  0.51201300  1
  N  N34  1  0.62173100  0.14241100  0.01201300  1
  N  N35  1  0.37826900  0.14241100  0.48798700  1
