# generated using pymatgen
data_Mn2NbN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.79803852
_cell_length_b   5.77352675
_cell_length_c   4.52361893
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2NbN3
_chemical_formula_sum   'Mn8 Nb4 N12'
_cell_volume   255.89767358
_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  0.29849700  0.67878300  0.51390200  1
  Mn  Mn1  1  0.29849700  0.32121700  0.51390200  1
  Mn  Mn2  1  0.70150300  0.32121700  0.01390200  1
  Mn  Mn3  1  0.70150300  0.67878300  0.01390200  1
  Mn  Mn4  1  0.79849700  0.17878300  0.51390200  1
  Mn  Mn5  1  0.79849700  0.82121700  0.51390200  1
  Mn  Mn6  1  0.20150300  0.82121700  0.01390200  1
  Mn  Mn7  1  0.20150300  0.17878300  0.01390200  1
  Nb  Nb8  1  0.82119100  0.50000000  0.57893500  1
  Nb  Nb9  1  0.17880900  0.50000000  0.07893500  1
  Nb  Nb10  1  0.32119100  0.00000000  0.57893500  1
  Nb  Nb11  1  0.67880900  0.00000000  0.07893500  1
  N  N12  1  0.88102300  0.17203800  0.11072900  1
  N  N13  1  0.88102300  0.82796200  0.11072900  1
  N  N14  1  0.11897700  0.82796200  0.61072900  1
  N  N15  1  0.11897700  0.17203800  0.61072900  1
  N  N16  1  0.81732100  0.50000000  0.08380100  1
  N  N17  1  0.18267900  0.50000000  0.58380100  1
  N  N18  1  0.38102300  0.67203800  0.11072900  1
  N  N19  1  0.38102300  0.32796200  0.11072900  1
  N  N20  1  0.61897700  0.32796200  0.61072900  1
  N  N21  1  0.61897700  0.67203800  0.61072900  1
  N  N22  1  0.31732100  0.00000000  0.08380100  1
  N  N23  1  0.68267900  0.00000000  0.58380100  1
