# generated using pymatgen
data_LiFeP3(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.43260300
_cell_length_b   8.59667600
_cell_length_c   9.51783163
_cell_angle_alpha   64.18499039
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeP3(HO5)2
_chemical_formula_sum   'Li4 Fe4 P12 H8 O40'
_cell_volume   842.08316979
_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  0.84860400  0.91248300  0.58225200  1
  Li  Li1  1  0.65139600  0.91248300  0.08225200  1
  Li  Li2  1  0.34860400  0.08751700  0.91774800  1
  Li  Li3  1  0.15139600  0.08751700  0.41774800  1
  Fe  Fe4  1  0.10605700  0.59440300  0.71318000  1
  Fe  Fe5  1  0.60605700  0.40559700  0.78682000  1
  Fe  Fe6  1  0.39394300  0.59440300  0.21318000  1
  Fe  Fe7  1  0.89394300  0.40559700  0.28682000  1
  P  P8  1  0.02619700  0.89633700  0.81999800  1
  P  P9  1  0.52953100  0.73664400  0.85915900  1
  P  P10  1  0.47380300  0.89633700  0.31999800  1
  P  P11  1  0.38656300  0.67354800  0.63455700  1
  P  P12  1  0.97046900  0.73664400  0.35915900  1
  P  P13  1  0.88656300  0.32645200  0.86544300  1
  P  P14  1  0.11343700  0.67354800  0.13455700  1
  P  P15  1  0.02953100  0.26335600  0.64084100  1
  P  P16  1  0.61343700  0.32645200  0.36544300  1
  P  P17  1  0.52619700  0.10366300  0.68000200  1
  P  P18  1  0.47046900  0.26335600  0.14084100  1
  P  P19  1  0.97380300  0.10366300  0.18000200  1
  H  H20  1  0.84806100  0.65306500  0.98327700  1
  H  H21  1  0.26923200  0.44461000  0.97175300  1
  H  H22  1  0.65193900  0.65306500  0.48327700  1
  H  H23  1  0.76923200  0.55539000  0.52824700  1
  H  H24  1  0.23076800  0.44461000  0.47175300  1
  H  H25  1  0.34806100  0.34693500  0.51672300  1
  H  H26  1  0.73076800  0.55539000  0.02824700  1
  H  H27  1  0.15193900  0.34693500  0.01672300  1
  O  O28  1  0.89973700  0.90786300  0.77309400  1
  O  O29  1  0.58424000  0.91362700  0.72744200  1
  O  O30  1  0.50933700  0.76439700  0.00308200  1
  O  O31  1  0.11073000  0.80425800  0.76288700  1
  O  O32  1  0.40712000  0.71845100  0.78353500  1
  O  O33  1  0.46896200  0.82229900  0.50650700  1
  O  O34  1  0.60026300  0.90786300  0.27309400  1
  O  O35  1  0.61086000  0.59241500  0.87289300  1
  O  O36  1  0.91576000  0.91362700  0.22744200  1
  O  O37  1  0.99066300  0.76439700  0.50308200  1
  O  O38  1  0.26191900  0.71188000  0.58605000  1
  O  O39  1  0.38927000  0.80425800  0.26288700  1
  O  O40  1  0.20343400  0.40702100  0.92685300  1
  O  O41  1  0.93890500  0.49985100  0.82960800  1
  O  O42  1  0.43890500  0.50014900  0.67039200  1
  O  O43  1  0.09288000  0.71845100  0.28353500  1
  O  O44  1  0.70343400  0.59297900  0.57314700  1
  O  O45  1  0.03103800  0.82229900  0.00650700  1
  O  O46  1  0.88914000  0.59241500  0.37289300  1
  O  O47  1  0.76191900  0.28812000  0.91395000  1
  O  O48  1  0.23808100  0.71188000  0.08605000  1
  O  O49  1  0.11086000  0.40758500  0.62710700  1
  O  O50  1  0.96896200  0.17770100  0.99349300  1
  O  O51  1  0.29656600  0.40702100  0.42685300  1
  O  O52  1  0.90712000  0.28154900  0.71646500  1
  O  O53  1  0.56109500  0.49985100  0.32960800  1
  O  O54  1  0.06109500  0.50014900  0.17039200  1
  O  O55  1  0.79656600  0.59297900  0.07314700  1
  O  O56  1  0.61073000  0.19574200  0.73711300  1
  O  O57  1  0.73808100  0.28812000  0.41395000  1
  O  O58  1  0.00933700  0.23560300  0.49691800  1
  O  O59  1  0.08424000  0.08637300  0.77255800  1
  O  O60  1  0.38914000  0.40758500  0.12710700  1
  O  O61  1  0.39973700  0.09213700  0.72690600  1
  O  O62  1  0.53103800  0.17770100  0.49349300  1
  O  O63  1  0.59288000  0.28154900  0.21646500  1
  O  O64  1  0.88927000  0.19574200  0.23711300  1
  O  O65  1  0.49066300  0.23560300  0.99691800  1
  O  O66  1  0.41576000  0.08637300  0.27255800  1
  O  O67  1  0.10026300  0.09213700  0.22690600  1
