# generated using pymatgen
data_MnCN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36666627
_cell_length_b   3.36666627
_cell_length_c   14.37689297
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCN2
_chemical_formula_sum   'Mn3 C3 N6'
_cell_volume   141.12235236
_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  0.00000000  1
  Mn  Mn1  1  0.66666700  0.33333300  0.33333300  1
  Mn  Mn2  1  0.33333300  0.66666700  0.66666700  1
  C  C3  1  0.33333300  0.66666700  0.16666700  1
  C  C4  1  0.00000000  0.00000000  0.50000000  1
  C  C5  1  0.66666700  0.33333300  0.83333300  1
  N  N6  1  0.33333300  0.66666700  0.08054000  1
  N  N7  1  0.33333300  0.66666700  0.25279400  1
  N  N8  1  0.00000000  0.00000000  0.41387300  1
  N  N9  1  0.00000000  0.00000000  0.58612700  1
  N  N10  1  0.66666700  0.33333300  0.74720600  1
  N  N11  1  0.66666700  0.33333300  0.91946000  1
