# generated using pymatgen
data_Mn3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.85038657
_cell_length_b   5.72773359
_cell_length_c   4.68115587
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3N4
_chemical_formula_sum   'Mn12 N16'
_cell_volume   264.11263998
_cell_formula_units_Z   4
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  0.50000000  0.00000000  0.50000000  1
  Mn  Mn1  1  0.00000000  0.50000000  0.00000000  1
  Mn  Mn2  1  0.50000000  0.50000000  0.50000000  1
  Mn  Mn3  1  0.00000000  0.00000000  0.00000000  1
  Mn  Mn4  1  0.50541700  0.25000000  0.75752500  1
  Mn  Mn5  1  0.99458300  0.25000000  0.25752500  1
  Mn  Mn6  1  0.49458300  0.75000000  0.24247500  1
  Mn  Mn7  1  0.00541700  0.75000000  0.74247500  1
  Mn  Mn8  1  0.09594600  0.25000000  0.58735000  1
  Mn  Mn9  1  0.40405400  0.25000000  0.08735000  1
  Mn  Mn10  1  0.90405400  0.75000000  0.41265000  1
  Mn  Mn11  1  0.59594600  0.75000000  0.91265000  1
  N  N12  1  0.71736300  0.25000000  0.58637700  1
  N  N13  1  0.78263700  0.25000000  0.08637700  1
  N  N14  1  0.28263700  0.75000000  0.41362300  1
  N  N15  1  0.21736300  0.75000000  0.91362300  1
  N  N16  1  0.25006000  0.25000000  0.92155300  1
  N  N17  1  0.24994000  0.25000000  0.42155300  1
  N  N18  1  0.74994000  0.75000000  0.07844700  1
  N  N19  1  0.75006000  0.75000000  0.57844700  1
  N  N20  1  0.26031100  0.00402200  0.66780100  1
  N  N21  1  0.23968900  0.49597800  0.16780100  1
  N  N22  1  0.73968900  0.50402200  0.33219900  1
  N  N23  1  0.76031100  0.99597800  0.83219900  1
  N  N24  1  0.73968900  0.99597800  0.33219900  1
  N  N25  1  0.76031100  0.50402200  0.83219900  1
  N  N26  1  0.26031100  0.49597800  0.66780100  1
  N  N27  1  0.23968900  0.00402200  0.16780100  1
