# generated using pymatgen
data_LiMn(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.04087266
_cell_length_b   8.95994116
_cell_length_c   8.97004742
_cell_angle_alpha   56.76734191
_cell_angle_beta   55.13561775
_cell_angle_gamma   55.66475946
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMn(SO4)2
_chemical_formula_sum   'Li3 Mn3 S6 O24'
_cell_volume   464.21634929
_cell_formula_units_Z   3
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  0.35674100  0.35674000  0.34943400  1
  Li  Li1  1  0.17827200  0.43618600  0.76163400  1
  Li  Li2  1  0.75831700  0.17911200  0.43208300  1
  Mn  Mn3  1  0.16585400  0.14663800  0.15341500  1
  Mn  Mn4  1  0.64014600  0.64484400  0.64991500  1
  Mn  Mn5  1  0.84436000  0.84718400  0.85706100  1
  S  S6  1  0.03144100  0.74740900  0.46681300  1
  S  S7  1  0.45100200  0.04782600  0.75254900  1
  S  S8  1  0.75848100  0.45714500  0.04601000  1
  S  S9  1  0.26093700  0.54200700  0.95620500  1
  S  S10  1  0.54318600  0.95613300  0.25063100  1
  S  S11  1  0.95941500  0.24543600  0.54560400  1
  O  O12  1  0.10796200  0.29267200  0.50753400  1
  O  O13  1  0.31182200  0.50383900  0.10215700  1
  O  O14  1  0.99130300  0.95382800  0.35218500  1
  O  O15  1  0.51526000  0.10526100  0.29449600  1
  O  O16  1  0.01446200  0.71010800  0.66477300  1
  O  O17  1  0.22533200  0.62421000  0.38217800  1
  O  O18  1  0.35763600  0.24215300  0.63950400  1
  O  O19  1  0.33135900  0.00845300  0.96419500  1
  O  O20  1  0.64368000  0.36538900  0.24286500  1
  O  O21  1  0.06014500  0.67680800  0.97769700  1
  O  O22  1  0.28934800  0.36305500  0.94823000  1
  O  O23  1  0.35371100  0.96834000  0.28037200  1
  O  O24  1  0.64549600  0.03258200  0.70763700  1
  O  O25  1  0.72041000  0.64924600  0.03364900  1
  O  O26  1  0.97295900  0.33313900  0.00449800  1
  O  O27  1  0.38911700  0.63210100  0.75411700  1
  O  O28  1  0.67527000  0.98586900  0.03994300  1
  O  O29  1  0.62600600  0.76053500  0.37049400  1
  O  O30  1  0.75853300  0.37735400  0.62402200  1
  O  O31  1  0.96805600  0.26704600  0.35700900  1
  O  O32  1  0.47419300  0.90182900  0.70306700  1
  O  O33  1  0.97882900  0.04431500  0.67563100  1
  O  O34  1  0.71259600  0.47892900  0.90103500  1
  O  O35  1  0.88286500  0.69627700  0.49765800  1
