# generated using pymatgen
data_Li2NiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51245500
_cell_length_b   9.19160377
_cell_length_c   10.27594128
_cell_angle_alpha   113.58492990
_cell_angle_beta   87.19200804
_cell_angle_gamma   107.02653230
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NiP2O7
_chemical_formula_sum   'Li8 Ni4 P8 O28'
_cell_volume   537.39259050
_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  0.58003500  0.49955500  0.96769200  1
  Li  Li1  1  0.34632700  0.92980500  0.38178100  1
  Li  Li2  1  0.92958000  0.83226300  0.50860200  1
  Li  Li3  1  0.87319100  0.89152500  0.91002300  1
  Li  Li4  1  0.15874600  0.48755000  0.03854800  1
  Li  Li5  1  0.04830600  0.23188800  0.51807900  1
  Li  Li6  1  0.64734700  0.07218300  0.61972200  1
  Li  Li7  1  0.18383600  0.12041200  0.12464400  1
  Ni  Ni8  1  0.28392900  0.89449800  0.77778700  1
  Ni  Ni9  1  0.36785100  0.50577200  0.74153200  1
  Ni  Ni10  1  0.62511600  0.48432500  0.24709200  1
  Ni  Ni11  1  0.72369200  0.09503300  0.21978200  1
  P  P12  1  0.11172900  0.43757800  0.29511900  1
  P  P13  1  0.56652700  0.29475900  0.46202200  1
  P  P14  1  0.42892400  0.70254900  0.53141600  1
  P  P15  1  0.31500300  0.80508100  0.05141000  1
  P  P16  1  0.08406900  0.18181400  0.79678100  1
  P  P17  1  0.69207500  0.18509700  0.94674200  1
  P  P18  1  0.91891200  0.80385200  0.19606200  1
  P  P19  1  0.87824700  0.54627700  0.69848500  1
  O  O20  1  0.22480100  0.54427000  0.45497900  1
  O  O21  1  0.73901800  0.08081400  0.01930400  1
  O  O22  1  0.70897700  0.66549000  0.16907800  1
  O  O23  1  0.02329300  0.26056600  0.29180300  1
  O  O24  1  0.92659000  0.27991900  0.90635000  1
  O  O25  1  0.29090800  0.44574700  0.19208000  1
  O  O26  1  0.63158700  0.14485700  0.46118100  1
  O  O27  1  0.39061800  0.65724700  0.95691000  1
  O  O28  1  0.60332700  0.32512700  0.03807400  1
  O  O29  1  0.37096100  0.85816600  0.54067800  1
  O  O30  1  0.10934100  0.05928000  0.85652200  1
  O  O31  1  0.28850400  0.32575300  0.82238400  1
  O  O32  1  0.44574600  0.91203800  0.19483900  1
  O  O33  1  0.02805200  0.88989900  0.34708400  1
  O  O34  1  0.54907700  0.27549400  0.30561000  1
  O  O35  1  0.44278500  0.71106800  0.68456500  1
  O  O36  1  0.97074500  0.09371700  0.64561600  1
  O  O37  1  0.08289400  0.70810900  0.09125800  1
  O  O38  1  0.62653600  0.67802400  0.45005700  1
  O  O39  1  0.27315900  0.91304800  0.98135900  1
  O  O40  1  0.97791600  0.72983400  0.72372700  1
  O  O41  1  0.76528600  0.45894900  0.53623000  1
  O  O42  1  0.90421800  0.92935000  0.13510400  1
  O  O43  1  0.94684100  0.51406100  0.27407900  1
  O  O44  1  0.03915200  0.45344300  0.69567400  1
  O  O45  1  0.36688400  0.31891600  0.54060200  1
  O  O46  1  0.69318100  0.52523300  0.79373600  1
  O  O47  1  0.56501400  0.07557000  0.80255400  1
