# generated using pymatgen
data_LiNi2P2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25759100
_cell_length_b   7.43748500
_cell_length_c   13.85284800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNi2P2O9
_chemical_formula_sum   'Li4 Ni8 P8 O36'
_cell_volume   644.72178593
_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  0.75000000  0.93935200  0.77799800  1
  Li  Li1  1  0.75000000  0.56064800  0.27799800  1
  Li  Li2  1  0.25000100  0.43935100  0.72200200  1
  Li  Li3  1  0.25000100  0.06064800  0.22200200  1
  Ni  Ni4  1  0.75000000  0.34793800  0.87989700  1
  Ni  Ni5  1  0.25000100  0.65206200  0.12010300  1
  Ni  Ni6  1  0.25000100  0.84793800  0.62010300  1
  Ni  Ni7  1  0.75000000  0.15206200  0.37989700  1
  Ni  Ni8  1  0.50000000  0.00000000  0.00000000  1
  Ni  Ni9  1  0.50000000  0.50000000  0.50000000  1
  Ni  Ni10  1  0.00000000  0.50000000  0.50000000  1
  Ni  Ni11  1  0.00000000  0.00000000  0.00000000  1
  P  P12  1  0.25000100  0.36254500  0.93504200  1
  P  P13  1  0.75000000  0.63745500  0.06495900  1
  P  P14  1  0.75000000  0.86254500  0.56495800  1
  P  P15  1  0.25000100  0.13745600  0.43504200  1
  P  P16  1  0.75000000  0.39912600  0.69624800  1
  P  P17  1  0.75000000  0.10087400  0.19624800  1
  P  P18  1  0.25000100  0.89912600  0.80375200  1
  P  P19  1  0.25000100  0.60087300  0.30375200  1
  O  O20  1  0.04277500  0.58061100  0.36204500  1
  O  O21  1  0.54277400  0.41938800  0.63795500  1
  O  O22  1  0.95722500  0.08061100  0.13795500  1
  O  O23  1  0.45722500  0.91938900  0.86204500  1
  O  O24  1  0.95722500  0.41938800  0.63795500  1
  O  O25  1  0.45722500  0.58061100  0.36204500  1
  O  O26  1  0.04277500  0.91938900  0.86204500  1
  O  O27  1  0.54277400  0.08061100  0.13795500  1
  O  O28  1  0.25000100  0.31427900  0.49385000  1
  O  O29  1  0.75000000  0.68572200  0.50615000  1
  O  O30  1  0.75000000  0.81427800  0.00614900  1
  O  O31  1  0.25000100  0.18572200  0.99385000  1
  O  O32  1  0.75000000  0.13573500  0.95633100  1
  O  O33  1  0.25000100  0.86426500  0.04366800  1
  O  O34  1  0.25000100  0.63573500  0.54366800  1
  O  O35  1  0.75000000  0.36426600  0.45633200  1
  O  O36  1  0.75000000  0.21872300  0.75512200  1
  O  O37  1  0.25000100  0.78127700  0.24487900  1
  O  O38  1  0.25000100  0.71872300  0.74487800  1
  O  O39  1  0.75000000  0.28127800  0.25512100  1
  O  O40  1  0.43798400  0.13589700  0.36225600  1
  O  O41  1  0.93798400  0.86410300  0.63774400  1
  O  O42  1  0.56201600  0.63589600  0.13774400  1
  O  O43  1  0.06201600  0.36410300  0.86225600  1
  O  O44  1  0.56201600  0.86410300  0.63774400  1
  O  O45  1  0.06201600  0.13589700  0.36225600  1
  O  O46  1  0.43798400  0.36410300  0.86225600  1
  O  O47  1  0.93798400  0.63589600  0.13774400  1
  O  O48  1  0.75000000  0.46914600  0.00238300  1
  O  O49  1  0.25000100  0.03787700  0.71728500  1
  O  O50  1  0.25000100  0.46212200  0.21728500  1
  O  O51  1  0.75000000  0.53787700  0.78271500  1
  O  O52  1  0.75000000  0.03085400  0.50238300  1
  O  O53  1  0.25000100  0.96914600  0.49761700  1
  O  O54  1  0.25000100  0.53085300  0.99761600  1
  O  O55  1  0.75000000  0.96212300  0.28271500  1
