# generated using pymatgen
data_Sr3LiNbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85444359
_cell_length_b   6.85444359
_cell_length_c   6.85444360
_cell_angle_alpha   92.66129522
_cell_angle_beta   92.66129522
_cell_angle_gamma   92.66129774
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3LiNbO6
_chemical_formula_sum   'Sr6 Li2 Nb2 O12'
_cell_volume   320.96956532
_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
  Sr  Sr0  1  0.10361200  0.39638800  0.75000000  1
  Sr  Sr1  1  0.75000000  0.10361200  0.39638800  1
  Sr  Sr2  1  0.39638800  0.75000000  0.10361200  1
  Sr  Sr3  1  0.25000000  0.89638800  0.60361200  1
  Sr  Sr4  1  0.60361200  0.25000000  0.89638800  1
  Sr  Sr5  1  0.89638800  0.60361200  0.25000000  1
  Li  Li6  1  0.25000000  0.25000000  0.25000000  1
  Li  Li7  1  0.75000000  0.75000000  0.75000000  1
  Nb  Nb8  1  0.50000000  0.50000000  0.50000000  1
  Nb  Nb9  1  0.00000000  0.00000000  0.00000000  1
  O  O10  1  0.45214500  0.58083000  0.78232600  1
  O  O11  1  0.78232600  0.45214500  0.58083000  1
  O  O12  1  0.58083000  0.78232600  0.45214500  1
  O  O13  1  0.28232600  0.08083000  0.95214500  1
  O  O14  1  0.95214500  0.28232600  0.08083000  1
  O  O15  1  0.08083000  0.95214500  0.28232600  1
  O  O16  1  0.54785500  0.41917000  0.21767400  1
  O  O17  1  0.21767400  0.54785500  0.41917000  1
  O  O18  1  0.41917000  0.21767400  0.54785500  1
  O  O19  1  0.71767400  0.91917000  0.04785500  1
  O  O20  1  0.04785500  0.71767400  0.91917000  1
  O  O21  1  0.91917000  0.04785500  0.71767400  1
