# generated using pymatgen
data_Ca3NbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94214100
_cell_length_b   5.68724300
_cell_length_c   9.89318470
_cell_angle_alpha   55.37865797
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3NbO6
_chemical_formula_sum   'Ca6 Nb2 O12'
_cell_volume   275.13193549
_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  0.05781400  0.72565700  0.75817000  1.0
  Ca  Ca1  1  0.94218600  0.27434300  0.24183000  1.0
  Ca  Ca2  1  0.55781400  0.27434300  0.74183000  1.0
  Ca  Ca3  1  0.44218600  0.72565700  0.25817000  1.0
  Ca  Ca4  1  0.50000000  0.50000000  0.00000000  1.0
  Ca  Ca5  1  0.00000000  0.50000000  0.50000000  1.0
  Nb  Nb6  1  0.50000000  0.00000000  0.50000000  1.0
  Nb  Nb7  1  0.00000000  0.00000000  0.00000000  1.0
  O  O8  1  0.44141600  0.89281400  0.72992600  1.0
  O  O9  1  0.55858400  0.10718600  0.27007400  1.0
  O  O10  1  0.94141600  0.10718600  0.77007400  1.0
  O  O11  1  0.05858400  0.89281400  0.22992600  1.0
  O  O12  1  0.78415100  0.75562100  0.57438900  1.0
  O  O13  1  0.21584900  0.24437900  0.42561100  1.0
  O  O14  1  0.28415100  0.24437900  0.92561100  1.0
  O  O15  1  0.71584900  0.75562100  0.07438900  1.0
  O  O16  1  0.32284400  0.65406800  0.55570500  1.0
  O  O17  1  0.67715600  0.34593200  0.44429500  1.0
  O  O18  1  0.82284400  0.34593200  0.94429500  1.0
  O  O19  1  0.17715600  0.65406800  0.05570500  1.0