# generated using pymatgen
data_KLiPH2O4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.59886800
_cell_length_b   5.48995100
_cell_length_c   12.56985040
_cell_angle_alpha   71.93511984
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLiPH2O4F
_chemical_formula_sum   'K4 Li4 P4 H8 O16 F4'
_cell_volume   498.53276350
_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
  K  K0  1  0.72542300  0.67635900  0.65347100  1
  K  K1  1  0.22542300  0.32364100  0.84652900  1
  K  K2  1  0.27457700  0.32364100  0.34652900  1
  K  K3  1  0.77457700  0.67635900  0.15347100  1
  Li  Li4  1  0.54143100  0.81859500  0.36359400  1
  Li  Li5  1  0.04143100  0.18140500  0.13640600  1
  Li  Li6  1  0.45856900  0.18140500  0.63640600  1
  Li  Li7  1  0.95856900  0.81859500  0.86359400  1
  P  P8  1  0.77391400  0.26216200  0.94718500  1
  P  P9  1  0.27391400  0.73783800  0.55281500  1
  P  P10  1  0.22608600  0.73783800  0.05281500  1
  P  P11  1  0.72608600  0.26216200  0.44718500  1
  H  H12  1  0.58304300  0.15306300  0.16178600  1
  H  H13  1  0.08304300  0.84693700  0.33821400  1
  H  H14  1  0.41695700  0.84693700  0.83821400  1
  H  H15  1  0.91695700  0.15306300  0.66178600  1
  H  H16  1  0.39216300  0.04051800  0.15836200  1
  H  H17  1  0.89216300  0.95948200  0.34163800  1
  H  H18  1  0.60783700  0.95948200  0.84163800  1
  H  H19  1  0.10783700  0.04051800  0.65836200  1
  O  O20  1  0.78214600  0.00394700  0.92455800  1
  O  O21  1  0.28214600  0.99605300  0.57544200  1
  O  O22  1  0.21785400  0.99605300  0.07544200  1
  O  O23  1  0.71785400  0.00394700  0.42455800  1
  O  O24  1  0.87608000  0.47619800  0.86417500  1
  O  O25  1  0.37608000  0.52380200  0.63582500  1
  O  O26  1  0.12392000  0.52380200  0.13582500  1
  O  O27  1  0.62392000  0.47619800  0.36417500  1
  O  O28  1  0.79917900  0.23915100  0.07078500  1
  O  O29  1  0.29917900  0.76084900  0.42921500  1
  O  O30  1  0.20082100  0.76084900  0.92921500  1
  O  O31  1  0.70082100  0.23915100  0.57078500  1
  O  O32  1  0.48633200  0.06147300  0.21023300  1
  O  O33  1  0.98633200  0.93852700  0.28976700  1
  O  O34  1  0.51366800  0.93852700  0.78976700  1
  O  O35  1  0.01366800  0.06147300  0.71023300  1
  F  F36  1  0.56869700  0.34531300  0.92300300  1
  F  F37  1  0.06869700  0.65468700  0.57699700  1
  F  F38  1  0.43130300  0.65468700  0.07699700  1
  F  F39  1  0.93130300  0.34531300  0.42300300  1
