# generated using pymatgen
data_LiNiPHO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14982700
_cell_length_b   5.42759649
_cell_length_c   7.08908569
_cell_angle_alpha   106.60495162
_cell_angle_beta   107.95945172
_cell_angle_gamma   100.19598302
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNiPHO5
_chemical_formula_sum   'Li2 Ni2 P2 H2 O10'
_cell_volume   172.82448861
_cell_formula_units_Z   2
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  0.74608000  0.39109400  0.82077200  1
  Li  Li1  1  0.25392000  0.60890600  0.17922800  1
  Ni  Ni2  1  0.00000000  0.00000000  0.50000000  1
  Ni  Ni3  1  0.00000000  0.00000000  0.00000000  1
  P  P4  1  0.67602600  0.36199700  0.23767300  1
  P  P5  1  0.32397400  0.63800300  0.76232700  1
  H  H6  1  0.34938400  0.07512000  0.34484000  1
  H  H7  1  0.65061600  0.92488000  0.65516000  1
  O  O8  1  0.85183200  0.04580900  0.72806900  1
  O  O9  1  0.71194600  0.21176300  0.39435400  1
  O  O10  1  0.31014100  0.33691800  0.65634400  1
  O  O11  1  0.36322900  0.25259400  0.06685900  1
  O  O12  1  0.88625700  0.34314400  0.12147000  1
  O  O13  1  0.11374300  0.65685600  0.87853000  1
  O  O14  1  0.63677100  0.74740600  0.93314100  1
  O  O15  1  0.68985900  0.66308200  0.34365600  1
  O  O16  1  0.28805400  0.78823700  0.60564600  1
  O  O17  1  0.14816800  0.95419100  0.27193100  1
