# generated using pymatgen
data_Ba5(FeN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.28853100
_cell_length_b   9.28853100
_cell_length_c   13.02845500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba5(FeN2)2
_chemical_formula_sum   'Ba20 Fe8 N16'
_cell_volume   1124.05351237
_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  0.75000000  0.75000000  0.33671800  1.0
  Ba  Ba1  1  0.75000000  0.75000000  0.83671800  1.0
  Ba  Ba2  1  0.25000000  0.25000000  0.66328200  1.0
  Ba  Ba3  1  0.25000000  0.25000000  0.16328200  1.0
  Ba  Ba4  1  0.13658800  0.56852000  0.39630000  1.0
  Ba  Ba5  1  0.36341200  0.56852000  0.89630000  1.0
  Ba  Ba6  1  0.13658800  0.93148000  0.89630000  1.0
  Ba  Ba7  1  0.36341200  0.93148000  0.39630000  1.0
  Ba  Ba8  1  0.56852000  0.13658800  0.89630000  1.0
  Ba  Ba9  1  0.93148000  0.13658800  0.39630000  1.0
  Ba  Ba10  1  0.56852000  0.36341200  0.39630000  1.0
  Ba  Ba11  1  0.93148000  0.36341200  0.89630000  1.0
  Ba  Ba12  1  0.86341200  0.43148000  0.60370000  1.0
  Ba  Ba13  1  0.63658800  0.43148000  0.10370100  1.0
  Ba  Ba14  1  0.86341200  0.06852000  0.10370100  1.0
  Ba  Ba15  1  0.63658800  0.06852000  0.60370000  1.0
  Ba  Ba16  1  0.43148000  0.86341200  0.10370100  1.0
  Ba  Ba17  1  0.06852000  0.86341200  0.60370000  1.0
  Ba  Ba18  1  0.43148000  0.63658800  0.60370000  1.0
  Ba  Ba19  1  0.06852000  0.63658800  0.10370100  1.0
  Fe  Fe20  1  0.09275000  0.90725000  0.25000000  1.0
  Fe  Fe21  1  0.40725000  0.90725000  0.75000000  1.0
  Fe  Fe22  1  0.09275000  0.59275000  0.75000000  1.0
  Fe  Fe23  1  0.40725000  0.59275000  0.25000000  1.0
  Fe  Fe24  1  0.90725000  0.09275000  0.75000000  1.0
  Fe  Fe25  1  0.59275000  0.09275000  0.25000000  1.0
  Fe  Fe26  1  0.90725000  0.40725000  0.25000000  1.0
  Fe  Fe27  1  0.59275000  0.40725000  0.75000000  1.0
  N  N28  1  0.64511600  0.05470800  0.37460500  1.0
  N  N29  1  0.85488400  0.05470800  0.87460500  1.0
  N  N30  1  0.64511600  0.44529200  0.87460500  1.0
  N  N31  1  0.85488400  0.44529200  0.37460500  1.0
  N  N32  1  0.05470800  0.64511600  0.87460500  1.0
  N  N33  1  0.44529200  0.64511600  0.37460500  1.0
  N  N34  1  0.05470800  0.85488400  0.37460500  1.0
  N  N35  1  0.44529200  0.85488400  0.87460500  1.0
  N  N36  1  0.35488400  0.94529200  0.62539500  1.0
  N  N37  1  0.14511600  0.94529200  0.12539500  1.0
  N  N38  1  0.35488400  0.55470800  0.12539500  1.0
  N  N39  1  0.14511600  0.55470800  0.62539500  1.0
  N  N40  1  0.94529200  0.35488400  0.12539500  1.0
  N  N41  1  0.55470800  0.35488400  0.62539500  1.0
  N  N42  1  0.94529200  0.14511600  0.62539500  1.0
  N  N43  1  0.55470800  0.14511600  0.12539500  1.0