# generated using pymatgen
data_LiMnH4(SO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76610800
_cell_length_b   7.07611632
_cell_length_c   10.51597542
_cell_angle_alpha   98.96307792
_cell_angle_beta   101.18290645
_cell_angle_gamma   110.34728289
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnH4(SO5)2
_chemical_formula_sum   'Li2 Mn2 H8 S4 O20'
_cell_volume   382.85837017
_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  0.77217700  0.70022700  0.06385500  1
  Li  Li1  1  0.82912200  0.73997600  0.60830500  1
  Mn  Mn2  1  0.49998700  0.02491100  0.75188700  1
  Mn  Mn3  1  0.50250200  0.98175000  0.25010200  1
  H  H4  1  0.63155500  0.40825200  0.79008500  1
  H  H5  1  0.32657500  0.30319800  0.70643500  1
  H  H6  1  0.38558800  0.64956900  0.62867700  1
  H  H7  1  0.46173800  0.68234500  0.78996700  1
  H  H8  1  0.55676300  0.32058500  0.20688300  1
  H  H9  1  0.58635300  0.34201000  0.36740200  1
  H  H10  1  0.66475800  0.69257800  0.29683800  1
  H  H11  1  0.37585500  0.58145700  0.19366500  1
  S  S12  1  0.84190700  0.24242600  0.08138900  1
  S  S13  1  0.15845900  0.77403500  0.43237800  1
  S  S14  1  0.84401000  0.23703100  0.57193600  1
  S  S15  1  0.16852500  0.76487800  0.91904200  1
  O  O16  1  0.76460100  0.11070900  0.94434100  1
  O  O17  1  0.46459200  0.29176300  0.77814100  1
  O  O18  1  0.11570100  0.36893200  0.12611200  1
  O  O19  1  0.52021800  0.73864900  0.71286900  1
  O  O20  1  0.30990400  0.64695300  0.45112500  1
  O  O21  1  0.19535100  0.86654900  0.31247700  1
  O  O22  1  0.78284700  0.08626100  0.17130000  1
  O  O23  1  0.12387200  0.35170400  0.61086600  1
  O  O24  1  0.22877400  0.94183400  0.55560000  1
  O  O25  1  0.35904000  0.66814600  0.92020900  1
  O  O26  1  0.68761200  0.37246900  0.09391200  1
  O  O27  1  0.75615000  0.06957500  0.44828100  1
  O  O28  1  0.87636300  0.65466200  0.40336100  1
  O  O29  1  0.19019200  0.89420100  0.81280000  1
  O  O30  1  0.79268400  0.12509100  0.68500300  1
  O  O31  1  0.70686400  0.37746700  0.56105900  1
  O  O32  1  0.48167500  0.25399700  0.27744900  1
  O  O33  1  0.89908900  0.61550100  0.87910300  1
  O  O34  1  0.54376900  0.70597900  0.21762300  1
  O  O35  1  0.21226900  0.89714100  0.05251500  1
