# generated using pymatgen
data_LiMnHSO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59186000
_cell_length_b   7.67760400
_cell_length_c   9.97789140
_cell_angle_alpha   69.02643679
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnHSO5
_chemical_formula_sum   'Li4 Mn4 H4 S4 O20'
_cell_volume   399.99022352
_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  0.43894400  0.68816900  0.08572000  1
  Li  Li1  1  0.93894400  0.81183100  0.91428000  1
  Li  Li2  1  0.56105600  0.31183100  0.91428000  1
  Li  Li3  1  0.06105600  0.18816900  0.08572000  1
  Mn  Mn4  1  0.76598300  0.87564000  0.55594900  1
  Mn  Mn5  1  0.26598300  0.62436000  0.44405100  1
  Mn  Mn6  1  0.23401700  0.12436000  0.44405100  1
  Mn  Mn7  1  0.73401700  0.37564000  0.55594900  1
  H  H8  1  0.49928000  0.40289200  0.33071100  1
  H  H9  1  0.99928000  0.09710800  0.66928900  1
  H  H10  1  0.50072000  0.59710800  0.66928900  1
  H  H11  1  0.00072000  0.90289200  0.33071100  1
  S  S12  1  0.06121400  0.50744900  0.79135500  1
  S  S13  1  0.56121400  0.99255100  0.20864500  1
  S  S14  1  0.93878600  0.49255100  0.20864500  1
  S  S15  1  0.43878600  0.00744900  0.79135500  1
  O  O16  1  0.92934700  0.12787100  0.57295200  1
  O  O17  1  0.42934700  0.37212900  0.42704800  1
  O  O18  1  0.07065300  0.87212900  0.42704800  1
  O  O19  1  0.57065300  0.62787100  0.57295200  1
  O  O20  1  0.44563500  0.96622100  0.65457700  1
  O  O21  1  0.94563500  0.53377900  0.34542300  1
  O  O22  1  0.55436500  0.03377900  0.34542300  1
  O  O23  1  0.05436500  0.46622100  0.65457700  1
  O  O24  1  0.54809500  0.19512600  0.76304900  1
  O  O25  1  0.04809500  0.30487400  0.23695100  1
  O  O26  1  0.45190500  0.80487400  0.23695100  1
  O  O27  1  0.95190500  0.69512600  0.76304900  1
  O  O28  1  0.68682300  0.49294100  0.16202900  1
  O  O29  1  0.18682300  0.00705900  0.83797100  1
  O  O30  1  0.31317700  0.50705900  0.83797100  1
  O  O31  1  0.81317700  0.99294100  0.16202900  1
  O  O32  1  0.41984600  0.13635000  0.09577400  1
  O  O33  1  0.91984600  0.36365000  0.90422600  1
  O  O34  1  0.58015400  0.86365000  0.90422600  1
  O  O35  1  0.08015400  0.63635000  0.09577400  1
