# generated using pymatgen
data_CaNbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55886600
_cell_length_b   5.71631700
_cell_length_c   7.98312100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNbO3
_chemical_formula_sum   'Ca4 Nb4 O12'
_cell_volume   253.67357057
_cell_formula_units_Z   4
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  0.00871800  0.05194800  0.25000000  1.0
  Ca  Ca1  1  0.50871800  0.44805200  0.75000000  1.0
  Ca  Ca2  1  0.49128200  0.55194800  0.25000000  1.0
  Ca  Ca3  1  0.99128200  0.94805200  0.75000000  1.0
  Nb  Nb4  1  0.50000000  0.00000000  0.00000000  1.0
  Nb  Nb5  1  0.00000000  0.50000000  0.00000000  1.0
  Nb  Nb6  1  0.00000000  0.50000000  0.50000000  1.0
  Nb  Nb7  1  0.50000000  0.00000000  0.50000000  1.0
  O  O8  1  0.80095200  0.20329700  0.54553600  1.0
  O  O9  1  0.30095200  0.29670300  0.45446400  1.0
  O  O10  1  0.69904800  0.70329700  0.95446400  1.0
  O  O11  1  0.19904800  0.79670300  0.04553600  1.0
  O  O12  1  0.19904800  0.79670300  0.45446400  1.0
  O  O13  1  0.69904800  0.70329700  0.54553600  1.0
  O  O14  1  0.30095200  0.29670300  0.04553600  1.0
  O  O15  1  0.80095200  0.20329700  0.95446400  1.0
  O  O16  1  0.58759900  0.97227600  0.25000000  1.0
  O  O17  1  0.08759900  0.52772400  0.75000000  1.0
  O  O18  1  0.91240100  0.47227600  0.25000000  1.0
  O  O19  1  0.41240100  0.02772400  0.75000000  1.0