# generated using pymatgen
data_Ca8Zn(FeN4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.24630467
_cell_length_b   4.98117193
_cell_length_c   7.12055361
_cell_angle_alpha   90.00000925
_cell_angle_beta   74.23022083
_cell_angle_gamma   74.37381526
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca8Zn(FeN4)2
_chemical_formula_sum   'Ca8 Zn1 Fe2 N8'
_cell_volume   302.99595220
_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
  Ca  Ca0  1  0.06435505  0.96782297  0.75011480  1.0
  Ca  Ca1  1  0.93564495  0.03217703  0.24988520  1.0
  Ca  Ca2  1  0.66239608  0.66880296  0.46849266  1.0
  Ca  Ca3  1  0.33760392  0.33119704  0.53150734  1.0
  Ca  Ca4  1  0.81205947  0.59397127  0.96776268  1.0
  Ca  Ca5  1  0.18794053  0.40602873  0.03223732  1.0
  Ca  Ca6  1  0.60289096  0.19855452  0.81030391  1.0
  Ca  Ca7  1  0.39710904  0.80144548  0.18969609  1.0
  Zn  Zn8  1  0.00000000  0.50000000  0.50000000  1.0
  Fe  Fe9  1  0.37947432  0.81026184  0.79215092  1.0
  Fe  Fe10  1  0.62052568  0.18973816  0.20784908  1.0
  N  N11  1  0.20725613  0.89637244  0.99461189  1.0
  N  N12  1  0.79274387  0.10362756  0.00538811  1.0
  N  N13  1  0.35007862  0.82496119  0.55786014  1.0
  N  N14  1  0.64992138  0.17503881  0.44213986  1.0
  N  N15  1  0.56886676  0.71556712  0.82743440  1.0
  N  N16  1  0.43113324  0.28443288  0.17256560  1.0
  N  N17  1  0.05928669  0.47035716  0.72803842  1.0
  N  N18  1  0.94071331  0.52964284  0.27196158  1.0