# generated using pymatgen
data_LiFeP2HO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02328141
_cell_length_b   7.82687554
_cell_length_c   12.74654922
_cell_angle_alpha   84.96154699
_cell_angle_beta   95.87994427
_cell_angle_gamma   97.59521415
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeP2HO7
_chemical_formula_sum   'Li4 Fe4 P8 H4 O28'
_cell_volume   590.82680609
_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  0.49683100  0.11679600  0.07035400  1
  Li  Li1  1  0.99575800  0.11755700  0.56980000  1
  Li  Li2  1  0.00589900  0.88385900  0.42945000  1
  Li  Li3  1  0.50190900  0.88230900  0.92942100  1
  Fe  Fe4  1  0.35394000  0.73906300  0.61402900  1
  Fe  Fe5  1  0.14828300  0.25984800  0.88658700  1
  Fe  Fe6  1  0.85230500  0.73915100  0.11421200  1
  Fe  Fe7  1  0.64835000  0.26069000  0.38659200  1
  P  P8  1  0.39477800  0.70595800  0.14773400  1
  P  P9  1  0.89557700  0.70700400  0.64772300  1
  P  P10  1  0.10494100  0.29477500  0.35214600  1
  P  P11  1  0.60508100  0.29376100  0.85215400  1
  P  P12  1  0.03575000  0.15361600  0.13782100  1
  P  P13  1  0.53445700  0.15357700  0.63778500  1
  P  P14  1  0.46577500  0.84653400  0.36217100  1
  P  P15  1  0.96293500  0.84553600  0.86270700  1
  H  H16  1  0.67223200  0.69432400  0.47404500  1
  H  H17  1  0.16867500  0.69286800  0.97503300  1
  H  H18  1  0.83020400  0.30529500  0.02470000  1
  H  H19  1  0.32939900  0.30624400  0.52504100  1
  O  O20  1  0.15828400  0.63851900  0.09774100  1
  O  O21  1  0.65963100  0.63962200  0.59707000  1
  O  O22  1  0.34102600  0.36203500  0.40265100  1
  O  O23  1  0.84155200  0.36036200  0.90250700  1
  O  O24  1  0.19591500  0.18863300  0.05135600  1
  O  O25  1  0.69386400  0.18806700  0.55092800  1
  O  O26  1  0.30663100  0.81114300  0.44903900  1
  O  O27  1  0.80279400  0.80941300  0.94911600  1
  O  O28  1  0.49095700  0.87578900  0.09118500  1
  O  O29  1  0.99227200  0.87682500  0.59135500  1
  O  O30  1  0.00815800  0.12486100  0.40859500  1
  O  O31  1  0.50791600  0.12365000  0.90819300  1
  O  O32  1  0.57182700  0.58017600  0.15485300  1
  O  O33  1  0.07294400  0.58144800  0.65523200  1
  O  O34  1  0.92750700  0.42042000  0.34457900  1
  O  O35  1  0.42830500  0.41973800  0.84553000  1
  O  O36  1  0.81269700  0.23836200  0.09746200  1
  O  O37  1  0.31165400  0.23878100  0.59763900  1
  O  O38  1  0.68947100  0.76178700  0.40162300  1
  O  O39  1  0.18581500  0.76006600  0.90240300  1
  O  O40  1  0.34584300  0.73873000  0.26706100  1
  O  O41  1  0.84403100  0.73902100  0.76681400  1
  O  O42  1  0.15464700  0.26174600  0.23296900  1
  O  O43  1  0.65424100  0.26216500  0.73262900  1
  O  O44  1  0.52225700  0.03328200  0.32242400  1
  O  O45  1  0.02007600  0.03248900  0.82349300  1
  O  O46  1  0.97875100  0.96695600  0.17779200  1
  O  O47  1  0.47785900  0.96714700  0.67825300  1
