# generated using pymatgen
data_BaFeN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35037581
_cell_length_b   6.35037614
_cell_length_c   7.74717709
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   126.28309360
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaFeN2
_chemical_formula_sum   'Ba4 Fe4 N8'
_cell_volume   251.84472674
_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
  Ba  Ba0  1  0.15682961  0.84317039  0.56289640  1.0
  Ba  Ba1  1  0.84317039  0.15682961  0.43710360  1.0
  Ba  Ba2  1  0.34317039  0.65682961  0.06289640  1.0
  Ba  Ba3  1  0.65682961  0.34317039  0.93710360  1.0
  Fe  Fe4  1  0.94872856  0.05127144  0.86504639  1.0
  Fe  Fe5  1  0.55127144  0.44872856  0.36504639  1.0
  Fe  Fe6  1  0.05127144  0.94872856  0.13495361  1.0
  Fe  Fe7  1  0.44872856  0.55127144  0.63495361  1.0
  N  N8  1  0.16262124  0.33737876  0.75000000  1.0
  N  N9  1  0.33737876  0.16262124  0.25000000  1.0
  N  N10  1  0.83737876  0.66262124  0.25000000  1.0
  N  N11  1  0.66262124  0.83737876  0.75000000  1.0
  N  N12  1  0.11029050  0.88970950  0.91679534  1.0
  N  N13  1  0.61029050  0.38970950  0.58320466  1.0
  N  N14  1  0.38970950  0.61029050  0.41679534  1.0
  N  N15  1  0.88970950  0.11029050  0.08320466  1.0