# generated using pymatgen
data_Li2MnH4(SO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.07322000
_cell_length_b   5.48463800
_cell_length_c   5.50395375
_cell_angle_alpha   79.21180648
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MnH4(SO5)2
_chemical_formula_sum   'Li4 Mn2 H8 S4 O20'
_cell_volume   387.66882940
_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  0.11312600  0.27016500  0.40329400  1
  Li  Li1  1  0.38687400  0.77016500  0.40329400  1
  Li  Li2  1  0.61312600  0.22983500  0.59670600  1
  Li  Li3  1  0.88687400  0.72983500  0.59670600  1
  Mn  Mn4  1  0.50000000  0.50000000  0.00000000  1
  Mn  Mn5  1  0.00000000  0.00000000  0.00000000  1
  H  H6  1  0.29333500  0.52203900  0.10810600  1
  H  H7  1  0.20666500  0.02203900  0.10810600  1
  H  H8  1  0.34336900  0.33228700  0.32835100  1
  H  H9  1  0.15663100  0.83228700  0.32835100  1
  H  H10  1  0.84336900  0.16771300  0.67164900  1
  H  H11  1  0.65663100  0.66771300  0.67164900  1
  H  H12  1  0.79333500  0.97796100  0.89189400  1
  H  H13  1  0.70666500  0.47796100  0.89189400  1
  S  S14  1  0.88365500  0.44660100  0.24111600  1
  S  S15  1  0.61634500  0.94660100  0.24111600  1
  S  S16  1  0.38365500  0.05339900  0.75888400  1
  S  S17  1  0.11634500  0.55339900  0.75888400  1
  O  O18  1  0.33005400  0.01741400  0.99774600  1
  O  O19  1  0.16994600  0.51741400  0.99774600  1
  O  O20  1  0.54920300  0.16763400  0.25580300  1
  O  O21  1  0.35612400  0.49330700  0.21225500  1
  O  O22  1  0.95022300  0.21874800  0.27249800  1
  O  O23  1  0.95079700  0.66763400  0.25580300  1
  O  O24  1  0.14387600  0.99330700  0.21225500  1
  O  O25  1  0.54977700  0.71874800  0.27249800  1
  O  O26  1  0.81331400  0.42408600  0.45734300  1
  O  O27  1  0.31331400  0.07591400  0.54265700  1
  O  O28  1  0.68668600  0.92408600  0.45734300  1
  O  O29  1  0.18668600  0.57591400  0.54265700  1
  O  O30  1  0.45022300  0.28125200  0.72750200  1
  O  O31  1  0.85612400  0.00669300  0.78774500  1
  O  O32  1  0.04920300  0.33236600  0.74419700  1
  O  O33  1  0.04977700  0.78125200  0.72750200  1
  O  O34  1  0.64387600  0.50669300  0.78774500  1
  O  O35  1  0.45079700  0.83236600  0.74419700  1
  O  O36  1  0.83005400  0.48258600  0.00225400  1
  O  O37  1  0.66994600  0.98258600  0.00225400  1
