# generated using pymatgen
data_MnCoN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02254458
_cell_length_b   3.02254458
_cell_length_c   14.70824045
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCoN2
_chemical_formula_sum   'Mn3 Co3 N6'
_cell_volume   116.36886083
_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
  Mn  Mn0  1  0.00000000  0.00000000  0.81501300  1
  Mn  Mn1  1  0.66666700  0.33333300  0.14834600  1
  Mn  Mn2  1  0.33333300  0.66666700  0.48168000  1
  Co  Co3  1  0.66666700  0.33333300  0.64293300  1
  Co  Co4  1  0.33333300  0.66666700  0.97626600  1
  Co  Co5  1  0.00000000  0.00000000  0.30960000  1
  N  N6  1  0.33333300  0.66666700  0.60175900  1
  N  N7  1  0.66666700  0.33333300  0.77255500  1
  N  N8  1  0.00000000  0.00000000  0.93509200  1
  N  N9  1  0.33333300  0.66666700  0.10588900  1
  N  N10  1  0.66666700  0.33333300  0.26842600  1
  N  N11  1  0.00000000  0.00000000  0.43922200  1
