# generated using pymatgen
data_Co4N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04262000
_cell_length_b   4.52600000
_cell_length_c   4.93500000
_cell_angle_alpha   90.00000000
_cell_angle_beta   62.74287000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co4N
_chemical_formula_sum   'Co8 N2'
_cell_volume   100.12447329
_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
  N  N0  1  0.00000000  0.00000000  0.50000000  1
  N  N1  1  0.00000000  0.50000000  0.00000000  1
  Co  Co2  1  0.38605000  0.66183000  0.86768000  1
  Co  Co3  1  0.61395000  0.33817000  0.13232000  1
  Co  Co4  1  0.61395000  0.16183000  0.63232000  1
  Co  Co5  1  0.38605000  0.83817000  0.36768000  1
  Co  Co6  1  0.85951000  0.82917000  0.88124000  1
  Co  Co7  1  0.14049000  0.17083000  0.11876000  1
  Co  Co8  1  0.14049000  0.32917000  0.61876000  1
  Co  Co9  1  0.85951000  0.67083000  0.38124000  1
