# generated using pymatgen
data_Co2NiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78510394
_cell_length_b   2.78510394
_cell_length_c   11.78764014
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2NiN2
_chemical_formula_sum   'Co4 Ni2 N4'
_cell_volume   91.43441368
_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
  Co  Co0  1  0.00000000  0.00000000  0.18131000  1
  Co  Co1  1  0.00000000  0.00000000  0.81869000  1
  Co  Co2  1  0.50000000  0.50000000  0.68131000  1
  Co  Co3  1  0.50000000  0.50000000  0.31869000  1
  Ni  Ni4  1  0.50000000  0.50000000  0.00000000  1
  Ni  Ni5  1  0.00000000  0.00000000  0.50000000  1
  N  N6  1  0.50000000  0.50000000  0.15381500  1
  N  N7  1  0.50000000  0.50000000  0.84618500  1
  N  N8  1  0.00000000  0.00000000  0.65381500  1
  N  N9  1  0.00000000  0.00000000  0.34618500  1
