# generated using pymatgen
data_Co2NiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74401526
_cell_length_b   2.74401526
_cell_length_c   22.80585493
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2NiN2
_chemical_formula_sum   'Co6 Ni3 N6'
_cell_volume   148.71337626
_cell_formula_units_Z   3
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
  Co  Co0  1  0.00000000  0.00000000  0.71472500  1
  Co  Co1  1  0.33333300  0.66666700  0.95194200  1
  Co  Co2  1  0.66666700  0.33333300  0.04805800  1
  Co  Co3  1  0.00000000  0.00000000  0.28527500  1
  Co  Co4  1  0.33333300  0.66666700  0.38139100  1
  Co  Co5  1  0.66666700  0.33333300  0.61860900  1
  Ni  Ni6  1  0.66666700  0.33333300  0.83333300  1
  Ni  Ni7  1  0.33333300  0.66666700  0.16666700  1
  Ni  Ni8  1  0.00000000  0.00000000  0.50000000  1
  N  N9  1  0.66666700  0.33333300  0.91335900  1
  N  N10  1  0.66666700  0.33333300  0.75330800  1
  N  N11  1  0.33333300  0.66666700  0.24669200  1
  N  N12  1  0.33333300  0.66666700  0.08664100  1
  N  N13  1  0.00000000  0.00000000  0.58002500  1
  N  N14  1  0.00000000  0.00000000  0.41997500  1
