# generated using pymatgen
data_Ca2Hf(NbN2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46200041
_cell_length_b   5.46200071
_cell_length_c   10.89227763
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000418
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Hf(NbN2)3
_chemical_formula_sum   'Ca4 Hf2 Nb6 N12'
_cell_volume   281.41859874
_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  0.33333300  0.66666700  0.00000000  1.0
  Ca  Ca1  1  0.33333300  0.66666700  0.50000000  1.0
  Ca  Ca2  1  0.66666700  0.33333300  0.50000000  1.0
  Ca  Ca3  1  0.66666700  0.33333300  0.00000000  1.0
  Hf  Hf4  1  0.00000000  0.00000000  0.50000000  1.0
  Hf  Hf5  1  0.00000000  0.00000000  0.00000000  1.0
  Nb  Nb6  1  0.00000000  0.34179192  0.25000000  1.0
  Nb  Nb7  1  0.65820808  1.00000000  0.75000000  1.0
  Nb  Nb8  1  0.34179192  0.34179192  0.75000000  1.0
  Nb  Nb9  1  0.65820808  0.65820808  0.25000000  1.0
  Nb  Nb10  1  0.34179192  0.00000000  0.25000000  1.0
  Nb  Nb11  1  1.00000000  0.65820808  0.75000000  1.0
  N  N12  1  0.68599179  0.68599179  0.63021005  1.0
  N  N13  1  0.68599179  0.68599179  0.86978995  1.0
  N  N14  1  0.31400821  0.31400821  0.13021005  1.0
  N  N15  1  0.31400821  0.31400821  0.36978995  1.0
  N  N16  1  0.31400821  1.00000000  0.86978995  1.0
  N  N17  1  0.31400821  1.00000000  0.63021005  1.0
  N  N18  1  0.00000000  0.68599179  0.36978995  1.0
  N  N19  1  0.00000000  0.68599179  0.13021005  1.0
  N  N20  1  0.68599179  0.00000000  0.13021005  1.0
  N  N21  1  0.68599179  0.00000000  0.36978995  1.0
  N  N22  1  1.00000000  0.31400821  0.86978995  1.0
  N  N23  1  1.00000000  0.31400821  0.63021005  1.0