# generated using pymatgen
data_Fe(NCl)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25759808
_cell_length_b   5.25759808
_cell_length_c   3.45599100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.40990955
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe(NCl)2
_chemical_formula_sum   'Fe1 N2 Cl2'
_cell_volume   95.10614041
_cell_formula_units_Z   1
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  0.50000000  0.50000000  0.00000000  1.0
  N  N1  1  0.28351800  0.71648200  0.00000000  1.0
  N  N2  1  0.71648200  0.28351800  0.00000000  1.0
  Cl  Cl3  1  0.28068600  0.28068600  0.50000000  1.0
  Cl  Cl4  1  0.71931400  0.71931400  0.50000000  1.0