# generated using pymatgen
data_BaCoN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42570507
_cell_length_b   11.47366370
_cell_length_c   7.69218600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   26.77351758
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCoN2
_chemical_formula_sum   'Ba4 Co4 N8'
_cell_volume   255.46633172
_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
  Ba  Ba0  1  0.00000000  0.15870700  0.55975400  1.0
  Ba  Ba1  1  0.00000000  0.84129300  0.44024600  1.0
  Ba  Ba2  1  0.00000000  0.34129300  0.05975400  1.0
  Ba  Ba3  1  0.00000000  0.65870700  0.94024600  1.0
  Co  Co4  1  0.00000000  0.44693800  0.63410000  1.0
  Co  Co5  1  0.00000000  0.55306200  0.36590000  1.0
  Co  Co6  1  0.00000000  0.05306200  0.13410000  1.0
  Co  Co7  1  0.00000000  0.94693800  0.86590000  1.0
  N  N8  1  0.00000000  0.11076700  0.91205200  1.0
  N  N9  1  0.00000000  0.88923300  0.08794800  1.0
  N  N10  1  0.00000000  0.38923300  0.41205200  1.0
  N  N11  1  0.00000000  0.61076700  0.58794800  1.0
  N  N12  1  0.50000000  0.65438500  0.75000000  1.0
  N  N13  1  0.50000000  0.84561500  0.25000000  1.0
  N  N14  1  0.50000000  0.34561500  0.25000000  1.0
  N  N15  1  0.50000000  0.15438500  0.75000000  1.0