# generated using pymatgen
data_LiNiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.98762200
_cell_length_b   7.19952200
_cell_length_c   9.42496055
_cell_angle_alpha   70.35112234
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNiP2O7
_chemical_formula_sum   'Li4 Ni4 P8 O28'
_cell_volume   510.44152346
_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  0.52701400  0.19604900  0.28351400  1
  Li  Li1  1  0.47298600  0.80395100  0.71648600  1
  Li  Li2  1  0.97298600  0.19604900  0.78351400  1
  Li  Li3  1  0.02701400  0.80395100  0.21648600  1
  Ni  Ni4  1  0.50458900  0.23961600  0.74825100  1
  Ni  Ni5  1  0.49541100  0.76038400  0.25174900  1
  Ni  Ni6  1  0.00458900  0.76038400  0.75174900  1
  Ni  Ni7  1  0.99541100  0.23961600  0.24825100  1
  P  P8  1  0.20924100  0.17043200  0.54863800  1
  P  P9  1  0.26300700  0.58422500  0.54522500  1
  P  P10  1  0.23699300  0.58422500  0.04522500  1
  P  P11  1  0.29075900  0.17043200  0.04863800  1
  P  P12  1  0.70924100  0.82956800  0.95136200  1
  P  P13  1  0.76300700  0.41577500  0.95477500  1
  P  P14  1  0.73699300  0.41577500  0.45477500  1
  P  P15  1  0.79075900  0.82956800  0.45136200  1
  O  O16  1  0.60826100  0.87983100  0.39924900  1
  O  O17  1  0.63779000  0.28890000  0.90707700  1
  O  O18  1  0.36221000  0.71110000  0.09292300  1
  O  O19  1  0.57947900  0.46479100  0.35656300  1
  O  O20  1  0.33627600  0.38280000  0.06457300  1
  O  O21  1  0.16372400  0.38280000  0.56457300  1
  O  O22  1  0.92052100  0.46479100  0.85656300  1
  O  O23  1  0.20034200  0.18559500  0.38297600  1
  O  O24  1  0.42230100  0.04758700  0.15667500  1
  O  O25  1  0.71236300  0.30947300  0.62452900  1
  O  O26  1  0.13779000  0.71110000  0.59292300  1
  O  O27  1  0.92230100  0.95241300  0.34332500  1
  O  O28  1  0.79965800  0.81440500  0.61702400  1
  O  O29  1  0.29965800  0.18559500  0.88297600  1
  O  O30  1  0.89173900  0.87983100  0.89924900  1
  O  O31  1  0.83627600  0.61720000  0.43542700  1
  O  O32  1  0.86221000  0.28890000  0.40707700  1
  O  O33  1  0.78763700  0.30947300  0.12452900  1
  O  O34  1  0.07947900  0.53520900  0.14343700  1
  O  O35  1  0.39173900  0.12016900  0.60075100  1
  O  O36  1  0.70034200  0.81440500  0.11702400  1
  O  O37  1  0.10826100  0.12016900  0.10075100  1
  O  O38  1  0.28763700  0.69052700  0.37547100  1
  O  O39  1  0.42052100  0.53520900  0.64343700  1
  O  O40  1  0.07769900  0.04758700  0.65667500  1
  O  O41  1  0.57769900  0.95241300  0.84332500  1
  O  O42  1  0.21236300  0.69052700  0.87547100  1
  O  O43  1  0.66372400  0.61720000  0.93542700  1
