# generated using pymatgen
data_Li4Nb(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.16695900
_cell_length_b   10.16695900
_cell_length_c   9.20133900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Nb(P2O7)2
_chemical_formula_sum   'Li16 Nb4 P16 O56'
_cell_volume   951.11531732
_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
  Li  Li0  1  0.93576200  0.85732900  0.40127300  1
  Li  Li1  1  0.06423800  0.85732900  0.90127300  1
  Li  Li2  1  0.85732900  0.93576200  0.09872700  1
  Li  Li3  1  0.14267100  0.93576200  0.59872700  1
  Li  Li4  1  0.14267100  0.06423800  0.09872700  1
  Li  Li5  1  0.85732900  0.06423800  0.59872700  1
  Li  Li6  1  0.06423800  0.14267100  0.40127300  1
  Li  Li7  1  0.93576200  0.14267100  0.90127300  1
  Li  Li8  1  0.43576200  0.35732900  0.59872700  1
  Li  Li9  1  0.56423800  0.35732900  0.09872700  1
  Li  Li10  1  0.64267100  0.43576200  0.40127300  1
  Li  Li11  1  0.35732900  0.43576200  0.90127300  1
  Li  Li12  1  0.35732900  0.56423800  0.40127300  1
  Li  Li13  1  0.64267100  0.56423800  0.90127300  1
  Li  Li14  1  0.43576200  0.64267100  0.09872700  1
  Li  Li15  1  0.56423800  0.64267100  0.59872700  1
  Nb  Nb16  1  0.50000000  0.00000000  0.06775000  1
  Nb  Nb17  1  0.50000000  0.00000000  0.56775000  1
  Nb  Nb18  1  0.00000000  0.50000000  0.43225000  1
  Nb  Nb19  1  0.00000000  0.50000000  0.93225000  1
  P  P20  1  0.40489500  0.76823500  0.82264700  1
  P  P21  1  0.59510500  0.76823500  0.32264700  1
  P  P22  1  0.73176500  0.90489500  0.82264700  1
  P  P23  1  0.26823500  0.90489500  0.32264700  1
  P  P24  1  0.26823500  0.09510500  0.82264700  1
  P  P25  1  0.73176500  0.09510500  0.32264700  1
  P  P26  1  0.40489500  0.23176500  0.32264700  1
  P  P27  1  0.59510500  0.23176500  0.82264700  1
  P  P28  1  0.90489500  0.26823500  0.17735300  1
  P  P29  1  0.09510500  0.26823500  0.67735300  1
  P  P30  1  0.76823500  0.40489500  0.67735300  1
  P  P31  1  0.23176500  0.40489500  0.17735300  1
  P  P32  1  0.23176500  0.59510500  0.67735300  1
  P  P33  1  0.76823500  0.59510500  0.17735300  1
  P  P34  1  0.90489500  0.73176500  0.67735300  1
  P  P35  1  0.09510500  0.73176500  0.17735300  1
  O  O36  1  0.75999000  0.75999000  0.75000000  1
  O  O37  1  0.24001000  0.75999000  0.25000000  1
  O  O38  1  0.48954800  0.81367600  0.69241700  1
  O  O39  1  0.51045200  0.81367600  0.19241700  1
  O  O40  1  0.04263500  0.86073700  0.11514400  1
  O  O41  1  0.95736500  0.86073700  0.61514400  1
  O  O42  1  0.36753900  0.87352400  0.44332700  1
  O  O43  1  0.63246100  0.87352400  0.94332700  1
  O  O44  1  0.62647600  0.86753900  0.44332700  1
  O  O45  1  0.37352400  0.86753900  0.94332700  1
  O  O46  1  0.86073700  0.95736500  0.88485600  1
  O  O47  1  0.13926300  0.95736500  0.38485600  1
  O  O48  1  0.31367600  0.98954800  0.19241700  1
  O  O49  1  0.68632400  0.98954800  0.69241700  1
  O  O50  1  0.31367600  0.01045200  0.69241700  1
  O  O51  1  0.68632400  0.01045200  0.19241700  1
  O  O52  1  0.13926300  0.04263500  0.88485600  1
  O  O53  1  0.86073700  0.04263500  0.38485600  1
  O  O54  1  0.37352400  0.13246100  0.44332700  1
  O  O55  1  0.62647600  0.13246100  0.94332700  1
  O  O56  1  0.63246100  0.12647600  0.44332700  1
  O  O57  1  0.36753900  0.12647600  0.94332700  1
  O  O58  1  0.04263500  0.13926300  0.61514400  1
  O  O59  1  0.95736500  0.13926300  0.11514400  1
  O  O60  1  0.48954800  0.18632400  0.19241700  1
  O  O61  1  0.51045200  0.18632400  0.69241700  1
  O  O62  1  0.75999000  0.24001000  0.25000000  1
  O  O63  1  0.24001000  0.24001000  0.75000000  1
  O  O64  1  0.25999000  0.25999000  0.25000000  1
  O  O65  1  0.74001000  0.25999000  0.75000000  1
  O  O66  1  0.98954800  0.31367600  0.30758300  1
  O  O67  1  0.01045200  0.31367600  0.80758300  1
  O  O68  1  0.45736500  0.36073700  0.38485600  1
  O  O69  1  0.54263500  0.36073700  0.88485600  1
  O  O70  1  0.86753900  0.37352400  0.55667300  1
  O  O71  1  0.13246100  0.37352400  0.05667300  1
  O  O72  1  0.87352400  0.36753900  0.05667300  1
  O  O73  1  0.12647600  0.36753900  0.55667300  1
  O  O74  1  0.36073700  0.45736500  0.11514400  1
  O  O75  1  0.63926300  0.45736500  0.61514400  1
  O  O76  1  0.18632400  0.48954800  0.30758300  1
  O  O77  1  0.81367600  0.48954800  0.80758300  1
  O  O78  1  0.18632400  0.51045200  0.80758300  1
  O  O79  1  0.81367600  0.51045200  0.30758300  1
  O  O80  1  0.36073700  0.54263500  0.61514400  1
  O  O81  1  0.63926300  0.54263500  0.11514400  1
  O  O82  1  0.87352400  0.63246100  0.55667300  1
  O  O83  1  0.12647600  0.63246100  0.05667300  1
  O  O84  1  0.86753900  0.62647600  0.05667300  1
  O  O85  1  0.13246100  0.62647600  0.55667300  1
  O  O86  1  0.45736500  0.63926300  0.88485600  1
  O  O87  1  0.54263500  0.63926300  0.38485600  1
  O  O88  1  0.98954800  0.68632400  0.80758300  1
  O  O89  1  0.01045200  0.68632400  0.30758300  1
  O  O90  1  0.74001000  0.74001000  0.25000000  1
  O  O91  1  0.25999000  0.74001000  0.75000000  1
