# generated using pymatgen
data_Zn3FeN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.26776518
_cell_length_b   8.26776518
_cell_length_c   3.44790365
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn3FeN3
_chemical_formula_sum   'Zn6 Fe2 N6'
_cell_volume   204.10893637
_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
  Zn  Zn0  1  0.91000700  0.64539100  0.25000000  1
  Zn  Zn1  1  0.73538400  0.08999300  0.25000000  1
  Zn  Zn2  1  0.35460900  0.26461600  0.25000000  1
  Zn  Zn3  1  0.08999300  0.35460900  0.75000000  1
  Zn  Zn4  1  0.26461600  0.91000700  0.75000000  1
  Zn  Zn5  1  0.64539100  0.73538400  0.75000000  1
  Fe  Fe6  1  0.66666700  0.33333300  0.75000000  1
  Fe  Fe7  1  0.33333300  0.66666700  0.25000000  1
  N  N8  1  0.77388300  0.59387900  0.75000000  1
  N  N9  1  0.81999500  0.22611700  0.75000000  1
  N  N10  1  0.40612100  0.18000500  0.75000000  1
  N  N11  1  0.22611700  0.40612100  0.25000000  1
  N  N12  1  0.18000500  0.77388300  0.25000000  1
  N  N13  1  0.59387900  0.81999500  0.25000000  1
