# generated using pymatgen
data_Li4Ca3Nb6O20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.47120116
_cell_length_b   14.47120116
_cell_length_c   5.62036400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   157.34188089
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Ca3Nb6O20
_chemical_formula_sum   'Li4 Ca3 Nb6 O20'
_cell_volume   453.41461074
_cell_formula_units_Z   1
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
  Li  Li0  1  0.50424100  0.00526800  0.00000000  1
  Li  Li1  1  0.00508100  0.50771300  0.50000000  1
  Li  Li2  1  0.49228700  0.99491900  0.50000000  1
  Li  Li3  1  0.99473200  0.49575900  0.00000000  1
  Ca  Ca4  1  0.42562200  0.57437800  0.00000000  1
  Ca  Ca5  1  0.92765000  0.07235000  0.50000000  1
  Ca  Ca6  1  0.08651400  0.91348600  0.50000000  1
  Nb  Nb7  1  0.50208500  0.49791500  0.50000000  1
  Nb  Nb8  1  0.00208000  0.99792000  0.00000000  1
  Nb  Nb9  1  0.85560500  0.14439500  0.00000000  1
  Nb  Nb10  1  0.35555500  0.64444500  0.50000000  1
  Nb  Nb11  1  0.64566800  0.35433200  0.50000000  1
  Nb  Nb12  1  0.14610800  0.85389200  0.00000000  1
  O  O13  1  0.78802600  0.21197400  0.00000000  1
  O  O14  1  0.28795500  0.71204500  0.50000000  1
  O  O15  1  0.71265400  0.28734600  0.50000000  1
  O  O16  1  0.21311000  0.78689000  0.00000000  1
  O  O17  1  0.61295500  0.88588400  0.75056100  1
  O  O18  1  0.11411600  0.38704500  0.24943900  1
  O  O19  1  0.11411600  0.38704500  0.75056100  1
  O  O20  1  0.61295500  0.88588400  0.24943900  1
  O  O21  1  0.89785600  0.62054300  0.74115400  1
  O  O22  1  0.37945700  0.10214400  0.25884600  1
  O  O23  1  0.37945700  0.10214400  0.74115400  1
  O  O24  1  0.89785600  0.62054300  0.25884600  1
  O  O25  1  0.92827300  0.07172700  0.00000000  1
  O  O26  1  0.42829400  0.57170600  0.50000000  1
  O  O27  1  0.56889400  0.43110600  0.50000000  1
  O  O28  1  0.06887400  0.93112600  0.00000000  1
  O  O29  1  0.74819200  0.76077900  0.74546600  1
  O  O30  1  0.23922100  0.25180800  0.25453400  1
  O  O31  1  0.74819200  0.76077900  0.25453400  1
  O  O32  1  0.23922100  0.25180800  0.74546600  1
