# generated using pymatgen
data_Ca4HfN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11002761
_cell_length_b   6.10490415
_cell_length_c   9.27321968
_cell_angle_alpha   70.75868872
_cell_angle_beta   81.30869647
_cell_angle_gamma   68.44222499
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4HfN4
_chemical_formula_sum   'Ca8 Hf2 N8'
_cell_volume   303.55659226
_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
  Ca  Ca0  1  0.73074697  0.61770727  0.19249343  1.0
  Ca  Ca1  1  0.26925303  0.38229273  0.80750657  1.0
  Ca  Ca2  1  0.75569869  0.24376363  0.99247195  1.0
  Ca  Ca3  1  0.24430131  0.75623637  0.00752805  1.0
  Ca  Ca4  1  0.73638682  0.47532080  0.57428829  1.0
  Ca  Ca5  1  0.26361318  0.52467920  0.42571171  1.0
  Ca  Ca6  1  0.24618112  0.94445762  0.59696874  1.0
  Ca  Ca7  1  0.75381888  0.05554238  0.40303126  1.0
  Hf  Hf8  1  0.71925770  0.84263297  0.76303351  1.0
  Hf  Hf9  1  0.28074230  0.15736703  0.23696649  1.0
  N  N10  1  0.98410130  0.69917109  0.61631415  1.0
  N  N11  1  0.01589870  0.30082891  0.38368585  1.0
  N  N12  1  0.84511469  0.85382104  0.95161825  1.0
  N  N13  1  0.15488531  0.14617896  0.04838175  1.0
  N  N14  1  0.51291076  0.62422724  0.80175687  1.0
  N  N15  1  0.48708924  0.37577276  0.19824313  1.0
  N  N16  1  0.48527256  0.82019941  0.37768989  1.0
  N  N17  1  0.51472744  0.17980059  0.62231011  1.0