# generated using pymatgen
data_Mn3Fe3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46380972
_cell_length_b   5.94509821
_cell_length_c   7.54315797
_cell_angle_alpha   112.35683752
_cell_angle_beta   101.07388549
_cell_angle_gamma   99.17400601
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Fe3N5
_chemical_formula_sum   'Mn6 Fe6 N10'
_cell_volume   214.96646112
_cell_formula_units_Z   2
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  0.82627100  0.81340500  0.59970200  1
  Mn  Mn1  1  0.17372900  0.18659500  0.40029800  1
  Mn  Mn2  1  0.58285500  0.02104200  0.85571500  1
  Mn  Mn3  1  0.41714500  0.97895800  0.14428500  1
  Mn  Mn4  1  0.71176600  0.34253100  0.21059200  1
  Mn  Mn5  1  0.28823400  0.65746900  0.78940800  1
  Fe  Fe6  1  0.03076800  0.25380800  0.01844000  1
  Fe  Fe7  1  0.96923200  0.74619200  0.98156000  1
  Fe  Fe8  1  0.71701600  0.40329200  0.54176200  1
  Fe  Fe9  1  0.28298400  0.59670800  0.45823800  1
  Fe  Fe10  1  0.12745800  0.19146700  0.72663200  1
  Fe  Fe11  1  0.87254200  0.80853300  0.27336800  1
  N  N12  1  0.99385300  0.44136300  0.75519800  1
  N  N13  1  0.00614700  0.55863700  0.24480200  1
  N  N14  1  0.85305900  0.16132800  0.50020700  1
  N  N15  1  0.14694100  0.83867200  0.49979300  1
  N  N16  1  0.65113400  0.75929600  0.79894800  1
  N  N17  1  0.34886600  0.24070400  0.20105200  1
  N  N18  1  0.41185700  0.26802600  0.60935000  1
  N  N19  1  0.58814300  0.73197400  0.39065000  1
  N  N20  1  0.27191200  0.87494300  0.92116300  1
  N  N21  1  0.72808800  0.12505700  0.07883700  1
