# generated using pymatgen
data_CrCo2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91986608
_cell_length_b   8.98754835
_cell_length_c   9.49507946
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCo2N3
_chemical_formula_sum   'Cr8 Co16 N24'
_cell_volume   505.18648715
_cell_formula_units_Z   8
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
  Cr  Cr0  1  0.50000000  0.30963700  0.85101600  1
  Cr  Cr1  1  0.50000000  0.69036300  0.14898400  1
  Cr  Cr2  1  0.50000000  0.19036300  0.35101600  1
  Cr  Cr3  1  0.50000000  0.80963700  0.64898400  1
  Cr  Cr4  1  0.00000000  0.80963700  0.85101600  1
  Cr  Cr5  1  0.00000000  0.19036300  0.14898400  1
  Cr  Cr6  1  0.00000000  0.69036300  0.35101600  1
  Cr  Cr7  1  0.00000000  0.30963700  0.64898400  1
  Co  Co8  1  0.50000000  0.49369000  0.62524800  1
  Co  Co9  1  0.50000000  0.50631000  0.37475200  1
  Co  Co10  1  0.50000000  0.00631000  0.12524800  1
  Co  Co11  1  0.50000000  0.99369000  0.87475200  1
  Co  Co12  1  0.50000000  0.19715000  0.63089800  1
  Co  Co13  1  0.50000000  0.80285000  0.36910200  1
  Co  Co14  1  0.50000000  0.30285000  0.13089800  1
  Co  Co15  1  0.50000000  0.69715000  0.86910200  1
  Co  Co16  1  0.00000000  0.99369000  0.62524800  1
  Co  Co17  1  0.00000000  0.00631000  0.37475200  1
  Co  Co18  1  0.00000000  0.50631000  0.12524800  1
  Co  Co19  1  0.00000000  0.49369000  0.87475200  1
  Co  Co20  1  0.00000000  0.69715000  0.63089800  1
  Co  Co21  1  0.00000000  0.30285000  0.36910200  1
  Co  Co22  1  0.00000000  0.80285000  0.13089800  1
  Co  Co23  1  0.00000000  0.19715000  0.86910200  1
  N  N24  1  0.50000000  0.15737800  0.99542700  1
  N  N25  1  0.50000000  0.84262200  0.00457300  1
  N  N26  1  0.50000000  0.34262200  0.49542700  1
  N  N27  1  0.50000000  0.65737800  0.50457300  1
  N  N28  1  0.50000000  0.49980500  0.82844500  1
  N  N29  1  0.50000000  0.50019500  0.17155500  1
  N  N30  1  0.50000000  0.00019500  0.32844500  1
  N  N31  1  0.50000000  0.99980500  0.67155500  1
  N  N32  1  0.25000000  0.25427700  0.75000000  1
  N  N33  1  0.25000000  0.74572300  0.25000000  1
  N  N34  1  0.75000000  0.74572300  0.25000000  1
  N  N35  1  0.75000000  0.25427700  0.75000000  1
  N  N36  1  0.00000000  0.65737800  0.99542700  1
  N  N37  1  0.00000000  0.34262200  0.00457300  1
  N  N38  1  0.00000000  0.84262200  0.49542700  1
  N  N39  1  0.00000000  0.15737800  0.50457300  1
  N  N40  1  0.00000000  0.99980500  0.82844500  1
  N  N41  1  0.00000000  0.00019500  0.17155500  1
  N  N42  1  0.00000000  0.50019500  0.32844500  1
  N  N43  1  0.00000000  0.49980500  0.67155500  1
  N  N44  1  0.75000000  0.75427700  0.75000000  1
  N  N45  1  0.75000000  0.24572300  0.25000000  1
  N  N46  1  0.25000000  0.24572300  0.25000000  1
  N  N47  1  0.25000000  0.75427700  0.75000000  1
