# generated using pymatgen
data_Li2NiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03831000
_cell_length_b   8.12735300
_cell_length_c   13.77748845
_cell_angle_alpha   68.88697844
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NiP2O7
_chemical_formula_sum   'Li8 Ni4 P8 O28'
_cell_volume   526.29104465
_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  0.20643600  0.98290500  0.67054600  1
  Li  Li1  1  0.29356400  0.98290500  0.17054600  1
  Li  Li2  1  0.73355400  0.42607700  0.83992500  1
  Li  Li3  1  0.23355400  0.57392300  0.66007500  1
  Li  Li4  1  0.76644600  0.42607700  0.33992500  1
  Li  Li5  1  0.26644600  0.57392300  0.16007500  1
  Li  Li6  1  0.70643600  0.01709500  0.82945400  1
  Li  Li7  1  0.79356400  0.01709500  0.32945400  1
  Ni  Ni8  1  0.26940000  0.72016600  0.86695600  1
  Ni  Ni9  1  0.23060000  0.72016600  0.36695600  1
  Ni  Ni10  1  0.76940000  0.27983400  0.63304400  1
  Ni  Ni11  1  0.73060000  0.27983400  0.13304400  1
  P  P12  1  0.72201700  0.81692900  0.69454900  1
  P  P13  1  0.72618100  0.69664100  0.52062500  1
  P  P14  1  0.77798300  0.81692900  0.19454900  1
  P  P15  1  0.22618100  0.30335900  0.97937500  1
  P  P16  1  0.77381900  0.69664100  0.02062500  1
  P  P17  1  0.22201700  0.18307100  0.80545100  1
  P  P18  1  0.27381900  0.30335900  0.47937500  1
  P  P19  1  0.27798300  0.18307100  0.30545100  1
  O  O20  1  0.25186000  0.99650900  0.80452500  1
  O  O21  1  0.24814000  0.99650900  0.30452500  1
  O  O22  1  0.63120700  0.77880400  0.91707000  1
  O  O23  1  0.77131400  0.84656800  0.57333000  1
  O  O24  1  0.43535000  0.74928800  0.71789000  1
  O  O25  1  0.93050800  0.68876000  0.76130700  1
  O  O26  1  0.42669600  0.67841900  0.50853300  1
  O  O27  1  0.86879300  0.77880400  0.41707000  1
  O  O28  1  0.72868600  0.84656800  0.07333000  1
  O  O29  1  0.36170900  0.46639900  0.90277500  1
  O  O30  1  0.06465000  0.74928800  0.21789000  1
  O  O31  1  0.56949200  0.68876000  0.26130700  1
  O  O32  1  0.86170900  0.53360100  0.59722500  1
  O  O33  1  0.07330400  0.67841900  0.00853300  1
  O  O34  1  0.92669600  0.32158100  0.99146700  1
  O  O35  1  0.13829100  0.46639900  0.40277500  1
  O  O36  1  0.43050800  0.31124000  0.73869300  1
  O  O37  1  0.93535000  0.25071200  0.78211000  1
  O  O38  1  0.63829100  0.53360100  0.09722500  1
  O  O39  1  0.27131400  0.15343200  0.92667000  1
  O  O40  1  0.13120700  0.22119600  0.58293000  1
  O  O41  1  0.57330400  0.32158100  0.49146700  1
  O  O42  1  0.06949200  0.31124000  0.23869300  1
  O  O43  1  0.56465000  0.25071200  0.28211000  1
  O  O44  1  0.22868600  0.15343200  0.42667000  1
  O  O45  1  0.36879300  0.22119600  0.08293000  1
  O  O46  1  0.75186000  0.00349100  0.69547500  1
  O  O47  1  0.74814000  0.00349100  0.19547500  1
