# generated using pymatgen
data_LiFeP2HO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57173000
_cell_length_b   8.74544320
_cell_length_c   9.94681282
_cell_angle_alpha   89.58400361
_cell_angle_beta   108.73967621
_cell_angle_gamma   102.00290767
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeP2HO7
_chemical_formula_sum   'Li4 Fe4 P8 H4 O28'
_cell_volume   528.43344814
_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  0.28150000  0.03123400  0.37308600  1
  Li  Li1  1  0.71850000  0.96876600  0.62691400  1
  Li  Li2  1  0.32306500  0.50889800  0.87846400  1
  Li  Li3  1  0.67693500  0.49110200  0.12153600  1
  Fe  Fe4  1  0.16459800  0.41438000  0.31053900  1
  Fe  Fe5  1  0.39175800  0.97279700  0.77447600  1
  Fe  Fe6  1  0.83540200  0.58562000  0.68946100  1
  Fe  Fe7  1  0.60824200  0.02720300  0.22552400  1
  P  P8  1  0.21128300  0.24614000  0.63881600  1
  P  P9  1  0.78871700  0.75386000  0.36118400  1
  P  P10  1  0.23263200  0.70616900  0.55455900  1
  P  P11  1  0.25938300  0.23179400  0.07347300  1
  P  P12  1  0.76736800  0.29383100  0.44544100  1
  P  P13  1  0.74061700  0.76820600  0.92652700  1
  P  P14  1  0.17315200  0.74234100  0.12745200  1
  P  P15  1  0.82684800  0.25765900  0.87254800  1
  H  H16  1  0.55619100  0.69215200  0.48590200  1
  H  H17  1  0.60012800  0.21454400  0.00371300  1
  H  H18  1  0.44380900  0.30784800  0.51409800  1
  H  H19  1  0.39987200  0.78545600  0.99628700  1
  O  O20  1  0.28679300  0.24027600  0.49982300  1
  O  O21  1  0.62933200  0.12413700  0.42498400  1
  O  O22  1  0.85574800  0.92246000  0.32049500  1
  O  O23  1  0.62922800  0.63760900  0.24986700  1
  O  O24  1  0.14425200  0.07754000  0.67950500  1
  O  O25  1  0.66490800  0.13578400  0.75814300  1
  O  O26  1  0.37066800  0.87586300  0.57501600  1
  O  O27  1  0.71320700  0.75972400  0.50017700  1
  O  O28  1  0.01251600  0.69475400  0.42128800  1
  O  O29  1  0.83778700  0.33500400  0.31418000  1
  O  O30  1  0.34293400  0.59153400  0.50073000  1
  O  O31  1  0.02942400  0.17290800  0.94384300  1
  O  O32  1  0.79111600  0.78217700  0.78486600  1
  O  O33  1  0.40322900  0.11434400  0.05940200  1
  O  O34  1  0.65706600  0.40846600  0.49927000  1
  O  O35  1  0.16221300  0.66499600  0.68582000  1
  O  O36  1  0.98748400  0.30524600  0.57871200  1
  O  O37  1  0.59677100  0.88565600  0.94059800  1
  O  O38  1  0.20888400  0.21782300  0.21513400  1
  O  O39  1  0.97057600  0.82709200  0.05615700  1
  O  O40  1  0.26006100  0.71462000  0.00093400  1
  O  O41  1  0.63947400  0.60486200  0.95035000  1
  O  O42  1  0.37077200  0.36239100  0.75013300  1
  O  O43  1  0.91348400  0.41387600  0.82256300  1
  O  O44  1  0.33509200  0.86421600  0.24185700  1
  O  O45  1  0.08651600  0.58612400  0.17743700  1
  O  O46  1  0.36052600  0.39513800  0.04965000  1
  O  O47  1  0.73993900  0.28538000  0.99906600  1
