# generated using pymatgen
data_LiMnH4(SO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63816800
_cell_length_b   7.41115761
_cell_length_c   10.43564623
_cell_angle_alpha   101.52589902
_cell_angle_beta   97.88782411
_cell_angle_gamma   111.93903185
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnH4(SO5)2
_chemical_formula_sum   'Li2 Mn2 H8 S4 O20'
_cell_volume   385.40169285
_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  0.66193400  0.60887500  0.03482600  1
  Li  Li1  1  0.84586000  0.70308200  0.62079600  1
  Mn  Mn2  1  0.49863400  0.02157700  0.75002300  1
  Mn  Mn3  1  0.50822100  0.99233000  0.24968900  1
  H  H4  1  0.62209200  0.39702400  0.80231100  1
  H  H5  1  0.32481700  0.29630900  0.71372400  1
  H  H6  1  0.39765100  0.65109300  0.61609200  1
  H  H7  1  0.48492000  0.68607800  0.77494200  1
  H  H8  1  0.54836000  0.32524000  0.22306400  1
  H  H9  1  0.56877000  0.34006400  0.38107800  1
  H  H10  1  0.66344000  0.70961700  0.29114500  1
  H  H11  1  0.37568800  0.59667800  0.18876600  1
  S  S12  1  0.85048700  0.25025700  0.07862700  1
  S  S13  1  0.14276100  0.77378300  0.43148700  1
  S  S14  1  0.86253300  0.24852400  0.57261600  1
  S  S15  1  0.17558300  0.76110200  0.92333900  1
  O  O16  1  0.74748900  0.10970300  0.94119300  1
  O  O17  1  0.44817000  0.28442700  0.78844900  1
  O  O18  1  0.13221900  0.37032800  0.10420300  1
  O  O19  1  0.54080600  0.74019000  0.69771500  1
  O  O20  1  0.27448200  0.63877800  0.43756600  1
  O  O21  1  0.19268500  0.87045500  0.31689300  1
  O  O22  1  0.80964100  0.11803100  0.17727300  1
  O  O23  1  0.15031200  0.34919000  0.60418600  1
  O  O24  1  0.22916900  0.93447400  0.56275100  1
  O  O25  1  0.35909800  0.66189600  0.91285200  1
  O  O26  1  0.70208000  0.37846800  0.10256700  1
  O  O27  1  0.75632700  0.08434700  0.44584800  1
  O  O28  1  0.85123600  0.67070500  0.40746900  1
  O  O29  1  0.17912700  0.86477000  0.80806600  1
  O  O30  1  0.80600300  0.14856900  0.68775000  1
  O  O31  1  0.73983300  0.39314500  0.57178100  1
  O  O32  1  0.46795600  0.25417000  0.28946900  1
  O  O33  1  0.89862200  0.61815400  0.90020900  1
  O  O34  1  0.54913200  0.71831700  0.21044900  1
  O  O35  1  0.25130100  0.91305900  0.05377600  1
