# generated using pymatgen
data_Li4Ti5Al(PO4)9
_symmetry_space_group_name_H-M   P1
_cell_length_a   8.49630000
_cell_length_b   8.49630000
_cell_length_c   20.87030000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Ti5Al(PO4)9
_chemical_formula_sum   'Li8 Ti10 Al2 P18 O72'
_cell_volume   1304.72505102
_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
  Li  Li0  1  0.00000000  0.00000000  0.00000000  1
  Li  Li1  1  0.00000000  0.00000000  0.50000000  1
  Li  Li2  1  0.33333300  0.66666700  0.16666700  1
  Li  Li3  1  0.33333300  0.66666700  0.66666700  1
  Li  Li4  1  0.66666700  0.33333300  0.33333300  1
  Li  Li5  1  0.66666700  0.33333300  0.83333300  1
  Li  Li6  1  0.93370000  0.67330000  0.92430000  1
  Li  Li7  1  0.99336700  0.39963300  0.75763300  1
  Ti  Ti8  1  0.00000000  0.00000000  0.14150000  1
  Ti  Ti9  1  0.00000000  0.00000000  0.35850000  1
  Ti  Ti10  1  0.00000000  0.00000000  0.85850000  1
  Ti  Ti11  1  0.33333300  0.66666700  0.02516700  1
  Ti  Ti12  1  0.33333300  0.66666700  0.52516700  1
  Ti  Ti13  1  0.33333300  0.66666700  0.80816700  1
  Ti  Ti14  1  0.66666700  0.33333300  0.19183300  1
  Ti  Ti15  1  0.66666700  0.33333300  0.47483300  1
  Ti  Ti16  1  0.66666700  0.33333300  0.69183300  1
  Ti  Ti17  1  0.66666700  0.33333300  0.97483300  1
  Al  Al18  1  0.00000000  0.00000000  0.64150000  1
  Al  Al19  1  0.33333300  0.66666700  0.30816700  1
  P  P20  1  0.00000000  0.28890000  0.25000000  1
  P  P21  1  0.00000000  0.71110000  0.75000000  1
  P  P22  1  0.04443300  0.37776700  0.91666700  1
  P  P23  1  0.04443300  0.66666700  0.41666700  1
  P  P24  1  0.28890000  0.00000000  0.25000000  1
  P  P25  1  0.28890000  0.28890000  0.75000000  1
  P  P26  1  0.33333300  0.37776700  0.41666700  1
  P  P27  1  0.33333300  0.95556700  0.91666700  1
  P  P28  1  0.37776700  0.04443300  0.58333300  1
  P  P29  1  0.37776700  0.33333300  0.08333300  1
  P  P30  1  0.62223300  0.66666700  0.91666700  1
  P  P31  1  0.62223300  0.95556700  0.41666700  1
  P  P32  1  0.66666700  0.04443300  0.08333300  1
  P  P33  1  0.66666700  0.62223300  0.58333300  1
  P  P34  1  0.71110000  0.00000000  0.75000000  1
  P  P35  1  0.71110000  0.71110000  0.25000000  1
  P  P36  1  0.95556700  0.33333300  0.58333300  1
  P  P37  1  0.95556700  0.62223300  0.08333300  1
  O  O38  1  0.01030000  0.19250000  0.19000000  1
  O  O39  1  0.01030000  0.81780000  0.69000000  1
  O  O40  1  0.02250000  0.18630000  0.91770000  1
  O  O41  1  0.02250000  0.83620000  0.41770000  1
  O  O42  1  0.14083300  0.48446700  0.85666700  1
  O  O43  1  0.14083300  0.65636700  0.35666700  1
  O  O44  1  0.14703300  0.50286700  0.58436700  1
  O  O45  1  0.14703300  0.64416700  0.08436700  1
  O  O46  1  0.15113300  0.47416700  0.97666700  1
  O  O47  1  0.15113300  0.67696700  0.47666700  1
  O  O48  1  0.16380000  0.18630000  0.41770000  1
  O  O49  1  0.16380000  0.97750000  0.91770000  1
  O  O50  1  0.16953300  0.48036700  0.24896700  1
  O  O51  1  0.16953300  0.68916700  0.74896700  1
  O  O52  1  0.18220000  0.19250000  0.69000000  1
  O  O53  1  0.18220000  0.98970000  0.19000000  1
  O  O54  1  0.18630000  0.02250000  0.58230000  1
  O  O55  1  0.18630000  0.16380000  0.08230000  1
  O  O56  1  0.19250000  0.01030000  0.31000000  1
  O  O57  1  0.19250000  0.18220000  0.81000000  1
  O  O58  1  0.31083300  0.48036700  0.74896700  1
  O  O59  1  0.31083300  0.83046700  0.24896700  1
  O  O60  1  0.32303300  0.47416700  0.47666700  1
  O  O61  1  0.32303300  0.84886700  0.97666700  1
  O  O62  1  0.34363300  0.48446700  0.35666700  1
  O  O63  1  0.34363300  0.85916700  0.85666700  1
  O  O64  1  0.35583300  0.50286700  0.08436700  1
  O  O65  1  0.35583300  0.85296700  0.58436700  1
  O  O66  1  0.47416700  0.15113300  0.52333300  1
  O  O67  1  0.47416700  0.32303300  0.02333300  1
  O  O68  1  0.48036700  0.16953300  0.25103300  1
  O  O69  1  0.48036700  0.31083300  0.75103300  1
  O  O70  1  0.48446700  0.14083300  0.64333300  1
  O  O71  1  0.48446700  0.34363300  0.14333300  1
  O  O72  1  0.49713300  0.64416700  0.58436700  1
  O  O73  1  0.49713300  0.85296700  0.08436700  1
  O  O74  1  0.50286700  0.14703300  0.91563300  1
  O  O75  1  0.50286700  0.35583300  0.41563300  1
  O  O76  1  0.51553300  0.65636700  0.85666700  1
  O  O77  1  0.51553300  0.85916700  0.35666700  1
  O  O78  1  0.51963300  0.68916700  0.24896700  1
  O  O79  1  0.51963300  0.83046700  0.74896700  1
  O  O80  1  0.52583300  0.67696700  0.97666700  1
  O  O81  1  0.52583300  0.84886700  0.47666700  1
  O  O82  1  0.64416700  0.14703300  0.41563300  1
  O  O83  1  0.64416700  0.49713300  0.91563300  1
  O  O84  1  0.65636700  0.14083300  0.14333300  1
  O  O85  1  0.65636700  0.51553300  0.64333300  1
  O  O86  1  0.67696700  0.15113300  0.02333300  1
  O  O87  1  0.67696700  0.52583300  0.52333300  1
  O  O88  1  0.68916700  0.16953300  0.75103300  1
  O  O89  1  0.68916700  0.51963300  0.25103300  1
  O  O90  1  0.80750000  0.81780000  0.19000000  1
  O  O91  1  0.80750000  0.98970000  0.69000000  1
  O  O92  1  0.81370000  0.83620000  0.91770000  1
  O  O93  1  0.81370000  0.97750000  0.41770000  1
  O  O94  1  0.81780000  0.01030000  0.81000000  1
  O  O95  1  0.81780000  0.80750000  0.31000000  1
  O  O96  1  0.83046700  0.31083300  0.25103300  1
  O  O97  1  0.83046700  0.51963300  0.75103300  1
  O  O98  1  0.83620000  0.02250000  0.08230000  1
  O  O99  1  0.83620000  0.81370000  0.58230000  1
  O  O100  1  0.84886700  0.32303300  0.52333300  1
  O  O101  1  0.84886700  0.52583300  0.02333300  1
  O  O102  1  0.85296700  0.35583300  0.91563300  1
  O  O103  1  0.85296700  0.49713300  0.41563300  1
  O  O104  1  0.85916700  0.34363300  0.64333300  1
  O  O105  1  0.85916700  0.51553300  0.14333300  1
  O  O106  1  0.97750000  0.16380000  0.58230000  1
  O  O107  1  0.97750000  0.81370000  0.08230000  1
  O  O108  1  0.98970000  0.18220000  0.31000000  1
  O  O109  1  0.98970000  0.80750000  0.81000000  1
