# generated using pymatgen
data_Zr(FeN)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.40285067
_cell_length_b   5.47453206
_cell_length_c   7.52385355
_cell_angle_alpha   71.74749708
_cell_angle_beta   83.17838282
_cell_angle_gamma   60.79514096
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr(FeN)4
_chemical_formula_sum   'Zr2 Fe8 N8'
_cell_volume   184.32252342
_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
  Zr  Zr0  1  0.74956000  0.35733600  0.18595000  1
  Zr  Zr1  1  0.25044000  0.64266400  0.81405000  1
  Fe  Fe2  1  0.67933200  0.18676400  0.76494300  1
  Fe  Fe3  1  0.32066800  0.81323600  0.23505700  1
  Fe  Fe4  1  0.77207600  0.77110400  0.99804000  1
  Fe  Fe5  1  0.22792400  0.22889600  0.00196000  1
  Fe  Fe6  1  0.76769000  0.90640600  0.41264100  1
  Fe  Fe7  1  0.23231000  0.09359400  0.58735900  1
  Fe  Fe8  1  0.27634500  0.43977100  0.39943800  1
  Fe  Fe9  1  0.72365500  0.56022900  0.60056200  1
  N  N10  1  0.00557500  0.72317300  0.41769400  1
  N  N11  1  0.99442500  0.27682700  0.58230600  1
  N  N12  1  0.84959800  0.11422400  0.93160600  1
  N  N13  1  0.15040200  0.88577600  0.06839400  1
  N  N14  1  0.51627500  0.59940300  0.19266900  1
  N  N15  1  0.48372500  0.40059700  0.80733100  1
  N  N16  1  0.53383100  0.79061000  0.60397500  1
  N  N17  1  0.46616900  0.20939000  0.39602500  1
