# generated using pymatgen
data_CaNb4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.12669973
_cell_length_b   7.12669973
_cell_length_c   9.73845726
_cell_angle_alpha   86.72469471
_cell_angle_beta   86.72469471
_cell_angle_gamma   93.73296368
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNb4O8
_chemical_formula_sum   'Ca3 Nb12 O24'
_cell_volume   491.83901679
_cell_formula_units_Z   3
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  0.87335447  0.87335447  0.12895033  1.0
  Ca  Ca1  1  0.14852528  0.14852528  0.85282694  1.0
  Ca  Ca2  1  0.61928748  0.61928748  0.37768186  1.0
  Nb  Nb3  1  0.15024481  0.15024481  0.35225383  1.0
  Nb  Nb4  1  0.64744621  0.64744621  0.85025561  1.0
  Nb  Nb5  1  0.84669072  0.84669072  0.65216321  1.0
  Nb  Nb6  1  0.34839837  0.34839837  0.15251757  1.0
  Nb  Nb7  1  0.85024828  0.41593554  0.63652897  1.0
  Nb  Nb8  1  0.35751862  0.91764248  0.13667390  1.0
  Nb  Nb9  1  0.91764248  0.35751862  0.13667390  1.0
  Nb  Nb10  1  0.41593554  0.85024828  0.63652897  1.0
  Nb  Nb11  1  0.08375370  0.64787187  0.86143164  1.0
  Nb  Nb12  1  0.58011994  0.14148157  0.36772992  1.0
  Nb  Nb13  1  0.14148157  0.58011994  0.36772992  1.0
  Nb  Nb14  1  0.64787187  0.08375370  0.86143164  1.0
  O  O15  1  0.34179004  0.06269292  0.48262613  1.0
  O  O16  1  0.84620212  0.58175934  0.98768317  1.0
  O  O17  1  0.85711410  0.11979398  0.70939610  1.0
  O  O18  1  0.35230898  0.61914864  0.21264815  1.0
  O  O19  1  0.91686448  0.65553483  0.51243199  1.0
  O  O20  1  0.42521693  0.15707640  0.01334558  1.0
  O  O21  1  0.88007066  0.14373169  0.28638828  1.0
  O  O22  1  0.37786979  0.65793922  0.79816472  1.0
  O  O23  1  0.65553483  0.91686448  0.51243199  1.0
  O  O24  1  0.15707640  0.42521693  0.01334558  1.0
  O  O25  1  0.14373169  0.88007066  0.28638828  1.0
  O  O26  1  0.65793922  0.37786979  0.79816472  1.0
  O  O27  1  0.06269292  0.34179004  0.48262613  1.0
  O  O28  1  0.58175934  0.84620212  0.98768317  1.0
  O  O29  1  0.11979398  0.85711410  0.70939610  1.0
  O  O30  1  0.61914864  0.35230898  0.21264815  1.0
  O  O31  1  0.33345349  0.66659850  0.49725914  1.0
  O  O32  1  0.84933405  0.15919860  0.99822860  1.0
  O  O33  1  0.66659850  0.33345349  0.49725914  1.0
  O  O34  1  0.15919860  0.84933405  0.99822860  1.0
  O  O35  1  0.07626855  0.42583921  0.74934245  1.0
  O  O36  1  0.58424993  0.91242018  0.25129459  1.0
  O  O37  1  0.91242018  0.58424993  0.25129459  1.0
  O  O38  1  0.42583921  0.07626855  0.74934245  1.0