# generated using pymatgen
data_LiNiP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.10857700
_cell_length_b   8.28459800
_cell_length_c   13.75152027
_cell_angle_alpha   69.03507953
_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   543.47029299
_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  0.51522800  0.43158300  0.84029500  1
  Li  Li1  1  0.92743500  0.98644200  0.16262900  1
  Li  Li2  1  0.07256500  0.98644200  0.66262900  1
  Li  Li3  1  0.48477200  0.43158300  0.34029500  1
  Ni  Ni4  1  0.99317800  0.71767600  0.35805800  1
  Ni  Ni5  1  0.00682200  0.71767600  0.85805800  1
  Ni  Ni6  1  0.51856000  0.26652700  0.13885500  1
  Ni  Ni7  1  0.48144000  0.26652700  0.63885500  1
  P  P8  1  0.02535300  0.30486200  0.97776400  1
  P  P9  1  0.45752900  0.82147000  0.19964600  1
  P  P10  1  0.51292600  0.70162600  0.52096200  1
  P  P11  1  0.54247100  0.82147000  0.69964600  1
  P  P12  1  0.98034000  0.17342400  0.30889400  1
  P  P13  1  0.97464700  0.30486200  0.47776400  1
  P  P14  1  0.01966000  0.17342400  0.80889400  1
  P  P15  1  0.48707400  0.70162600  0.02096200  1
  O  O16  1  0.98188000  0.15106800  0.92830600  1
  O  O17  1  0.27680400  0.27443300  0.77234000  1
  O  O18  1  0.78801400  0.27558100  0.74567800  1
  O  O19  1  0.46031600  0.52170300  0.60044500  1
  O  O20  1  0.32093500  0.31798900  0.99254000  1
  O  O21  1  0.80002300  0.71006200  0.48689000  1
  O  O22  1  0.89961300  0.46606500  0.89823600  1
  O  O23  1  0.32691700  0.76156200  0.42988500  1
  O  O24  1  0.52075600  0.00505400  0.19314300  1
  O  O25  1  0.36187300  0.68711100  0.77463900  1
  O  O26  1  0.95878700  0.99192300  0.30465300  1
  O  O27  1  0.83549400  0.77812600  0.71578900  1
  O  O28  1  0.47654000  0.83493600  0.58061800  1
  O  O29  1  0.87824500  0.23049600  0.08033500  1
  O  O30  1  0.67308300  0.76156200  0.92988500  1
  O  O31  1  0.01812000  0.15106800  0.42830600  1
  O  O32  1  0.72319600  0.27443300  0.27234000  1
  O  O33  1  0.47924400  0.00505400  0.69314300  1
  O  O34  1  0.21198600  0.27558100  0.24567800  1
  O  O35  1  0.04121300  0.99192300  0.80465300  1
  O  O36  1  0.12175500  0.23049600  0.58033500  1
  O  O37  1  0.53968400  0.52170300  0.10044500  1
  O  O38  1  0.67906500  0.31798900  0.49254000  1
  O  O39  1  0.19997700  0.71006200  0.98689000  1
  O  O40  1  0.10038700  0.46606500  0.39823600  1
  O  O41  1  0.63812700  0.68711100  0.27463900  1
  O  O42  1  0.16450600  0.77812600  0.21578900  1
  O  O43  1  0.52346000  0.83493600  0.08061800  1
