# generated using pymatgen
data_Mn8CN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39760241
_cell_length_b   4.90138505
_cell_length_c   5.64509974
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.20896885
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn8CN3
_chemical_formula_sum   'Mn8 C1 N3'
_cell_volume   121.67560501
_cell_formula_units_Z   1
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  0.24804242  0.08214243  0.87652052  1.0
  Mn  Mn1  1  0.75059080  0.91814797  0.62328022  1.0
  Mn  Mn2  1  0.24940920  0.58185203  0.62328022  1.0
  Mn  Mn3  1  0.75195758  0.41785757  0.87652052  1.0
  Mn  Mn4  1  0.24996461  0.58120935  0.12153618  1.0
  Mn  Mn5  1  0.75107834  0.41430815  0.37919428  1.0
  Mn  Mn6  1  0.24892166  0.08569185  0.37919428  1.0
  Mn  Mn7  1  0.75003539  0.91879065  0.12153618  1.0
  C  C8  1  0.00000000  0.75000000  0.36912613  1.0
  N  N9  1  0.50000000  0.75000000  0.86886424  1.0
  N  N10  1  0.00000000  0.25000000  0.62969689  1.0
  N  N11  1  0.50000000  0.25000000  0.13124833  1.0