# generated using pymatgen
data_FeNCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.60941300
_cell_length_b   8.44072674
_cell_length_c   8.44072674
_cell_angle_alpha   120.00000582
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNCl3
_chemical_formula_sum   'Fe2 N2 Cl6'
_cell_volume   346.10486539
_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  0.06146900  0.00000000  0.00000000  1.0
  Fe  Fe1  1  0.56146900  0.00000000  0.00000000  1.0
  N  N2  1  0.75825900  0.66666700  0.33333300  1.0
  N  N3  1  0.25825900  0.33333300  0.66666700  1.0
  Cl  Cl4  1  0.81008700  0.12132300  0.24264600  1.0
  Cl  Cl5  1  0.81008700  0.12132300  0.87867700  1.0
  Cl  Cl6  1  0.31008700  0.87867700  0.75735400  1.0
  Cl  Cl7  1  0.81008700  0.75735400  0.87867700  1.0
  Cl  Cl8  1  0.31008700  0.87867700  0.12132300  1.0
  Cl  Cl9  1  0.31008700  0.24264600  0.12132300  1.0