# generated using pymatgen
data_Fe(BrN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52789300
_cell_length_b   4.07913100
_cell_length_c   11.98985100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe(BrN)2
_chemical_formula_sum   'Fe2 Br4 N4'
_cell_volume   172.54280081
_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
  Fe  Fe0  1  0.00000000  0.00000000  0.50000000  1.0
  Fe  Fe1  1  0.00000000  0.50000000  0.00000000  1.0
  Br  Br2  1  0.50000000  0.73258300  0.38840500  1.0
  Br  Br3  1  0.50000000  0.26741700  0.61159500  1.0
  Br  Br4  1  0.50000000  0.76741700  0.88840500  1.0
  Br  Br5  1  0.50000000  0.23258300  0.11159500  1.0
  N  N6  1  0.00000000  0.72168900  0.60608700  1.0
  N  N7  1  0.00000000  0.27831100  0.39391300  1.0
  N  N8  1  0.00000000  0.77831100  0.10608700  1.0
  N  N9  1  0.00000000  0.22168900  0.89391300  1.0