# generated using pymatgen
data_LiMnH4(SO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.84486000
_cell_length_b   5.33400900
_cell_length_c   5.54271938
_cell_angle_alpha   79.53516853
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnH4(SO5)2
_chemical_formula_sum   'Li2 Mn2 H8 S4 O20'
_cell_volume   373.44053386
_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  0.61637400  0.01049000  0.41746600  1
  Li  Li1  1  0.11637400  0.98951000  0.58253400  1
  Mn  Mn2  1  0.49763400  0.74505600  0.00514700  1
  Mn  Mn3  1  0.99763400  0.25494400  0.99485300  1
  H  H4  1  0.70386200  0.75999300  0.09698200  1
  H  H5  1  0.79868200  0.25827100  0.08778600  1
  H  H6  1  0.65068300  0.57023900  0.31795700  1
  H  H7  1  0.85332000  0.07336600  0.31313600  1
  H  H8  1  0.15068300  0.42976100  0.68204300  1
  H  H9  1  0.35332000  0.92663400  0.68686400  1
  H  H10  1  0.20386200  0.24000700  0.90301800  1
  H  H11  1  0.29868200  0.74172900  0.91221400  1
  S  S12  1  0.11593300  0.68308700  0.22612200  1
  S  S13  1  0.38102100  0.18144900  0.22848800  1
  S  S14  1  0.61593300  0.31691300  0.77387800  1
  S  S15  1  0.88102100  0.81855100  0.77151200  1
  O  O16  1  0.67331800  0.26476200  0.00724300  1
  O  O17  1  0.82237700  0.77402200  0.00103200  1
  O  O18  1  0.45836900  0.38789500  0.23518400  1
  O  O19  1  0.63771300  0.73368400  0.19798600  1
  O  O20  1  0.05944000  0.42814900  0.24653100  1
  O  O21  1  0.04079000  0.89429000  0.23941300  1
  O  O22  1  0.86510400  0.22769600  0.18141900  1
  O  O23  1  0.44870600  0.93564900  0.24804300  1
  O  O24  1  0.18199000  0.65967500  0.44720400  1
  O  O25  1  0.68199000  0.34032500  0.55279600  1
  O  O26  1  0.31449400  0.13798900  0.44644800  1
  O  O27  1  0.81449400  0.86201100  0.55355200  1
  O  O28  1  0.55944000  0.57185100  0.75346900  1
  O  O29  1  0.13771300  0.26631600  0.80201400  1
  O  O30  1  0.95836900  0.61210500  0.76481600  1
  O  O31  1  0.94870600  0.06435100  0.75195700  1
  O  O32  1  0.36510400  0.77230400  0.81858100  1
  O  O33  1  0.54079000  0.10571000  0.76058700  1
  O  O34  1  0.17331800  0.73523800  0.99275700  1
  O  O35  1  0.32237700  0.22597800  0.99896800  1
