# generated using pymatgen
data_LiMn(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.05003500
_cell_length_b   9.32866600
_cell_length_c   13.70708868
_cell_angle_alpha   89.58666440
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMn(SO4)2
_chemical_formula_sum   'Li8 Mn8 S16 O64'
_cell_volume   1157.18747455
_cell_formula_units_Z   8
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  0.03993300  0.94970100  0.37729100  1
  Li  Li1  1  0.96006700  0.94970100  0.87729100  1
  Li  Li2  1  0.53699400  0.55179300  0.37457100  1
  Li  Li3  1  0.46300600  0.55179300  0.87457100  1
  Li  Li4  1  0.79890100  0.22912200  0.12744800  1
  Li  Li5  1  0.20109900  0.22912200  0.62744800  1
  Li  Li6  1  0.47493900  0.03931700  0.62500700  1
  Li  Li7  1  0.52506100  0.03931700  0.12500700  1
  Mn  Mn8  1  0.14507000  0.85783800  0.12563400  1
  Mn  Mn9  1  0.85493000  0.85783800  0.62563400  1
  Mn  Mn10  1  0.64273400  0.63800900  0.12634300  1
  Mn  Mn11  1  0.35726600  0.63800900  0.62634300  1
  Mn  Mn12  1  0.14387200  0.36305900  0.37130700  1
  Mn  Mn13  1  0.85612800  0.36305900  0.87130700  1
  Mn  Mn14  1  0.64451900  0.13860800  0.37383000  1
  Mn  Mn15  1  0.35548100  0.13860800  0.87383000  1
  S  S16  1  0.18549700  0.92711300  0.72747900  1
  S  S17  1  0.81450300  0.92711300  0.22747900  1
  S  S18  1  0.56308800  0.83503200  0.49039900  1
  S  S19  1  0.43691200  0.83503200  0.99039900  1
  S  S20  1  0.06387900  0.66100800  0.49268500  1
  S  S21  1  0.93612100  0.66100800  0.99268500  1
  S  S22  1  0.31523600  0.57308100  0.22276300  1
  S  S23  1  0.68476400  0.57308100  0.72276300  1
  S  S24  1  0.81566300  0.42972900  0.27402600  1
  S  S25  1  0.18433700  0.42972900  0.77402600  1
  S  S26  1  0.56057800  0.33388400  0.00985200  1
  S  S27  1  0.43942200  0.33388400  0.50985200  1
  S  S28  1  0.06335100  0.16299400  0.00851200  1
  S  S29  1  0.93664900  0.16299400  0.50851200  1
  S  S30  1  0.68692200  0.07408800  0.77419900  1
  S  S31  1  0.31307800  0.07408800  0.27419900  1
  O  O32  1  0.54493400  0.99358300  0.47920800  1
  O  O33  1  0.45506600  0.99358300  0.97920800  1
  O  O34  1  0.25122400  0.98282500  0.34977100  1
  O  O35  1  0.74877600  0.98282500  0.84977100  1
  O  O36  1  0.78231700  0.98622500  0.32886300  1
  O  O37  1  0.21768300  0.98622500  0.82886300  1
  O  O38  1  0.01914200  0.92809200  0.72442200  1
  O  O39  1  0.98085800  0.92809200  0.22442200  1
  O  O40  1  0.52557500  0.80614100  0.08338000  1
  O  O41  1  0.47442500  0.80614100  0.58338000  1
  O  O42  1  0.28050700  0.79812900  0.01207100  1
  O  O43  1  0.71949300  0.79812900  0.51207100  1
  O  O44  1  0.24240400  0.78114800  0.72339600  1
  O  O45  1  0.75759600  0.78114800  0.22339600  1
  O  O46  1  0.51174600  0.75499200  0.40733100  1
  O  O47  1  0.48825400  0.75499200  0.90733100  1
  O  O48  1  0.01992200  0.74705200  0.40908300  1
  O  O49  1  0.98007800  0.74705200  0.90908300  1
  O  O50  1  0.26131400  0.72274800  0.22222500  1
  O  O51  1  0.73868600  0.72274800  0.72222500  1
  O  O52  1  0.22190200  0.69802600  0.51753300  1
  O  O53  1  0.77809800  0.69802600  0.01753300  1
  O  O54  1  0.02689300  0.69345000  0.08290900  1
  O  O55  1  0.97310700  0.69345000  0.58290900  1
  O  O56  1  0.48564700  0.57816900  0.22516000  1
  O  O57  1  0.51435300  0.57816900  0.72516000  1
  O  O58  1  0.71535800  0.51551800  0.82670600  1
  O  O59  1  0.28464200  0.51551800  0.32670600  1
  O  O60  1  0.74721100  0.51452500  0.34936700  1
  O  O61  1  0.25278900  0.51452500  0.84936700  1
  O  O62  1  0.04858900  0.50587700  0.47670700  1
  O  O63  1  0.95141100  0.50587700  0.97670700  1
  O  O64  1  0.54262600  0.49093900  0.01964200  1
  O  O65  1  0.45737400  0.49093900  0.51964200  1
  O  O66  1  0.74189800  0.48268700  0.64803000  1
  O  O67  1  0.25810200  0.48268700  0.14803000  1
  O  O68  1  0.77853000  0.48370000  0.17144800  1
  O  O69  1  0.22147000  0.48370000  0.67144800  1
  O  O70  1  0.97964800  0.43010300  0.27768900  1
  O  O71  1  0.02035200  0.43010300  0.77768900  1
  O  O72  1  0.52567800  0.30263700  0.41727300  1
  O  O73  1  0.47432200  0.30263700  0.91727300  1
  O  O74  1  0.71957300  0.29697400  0.99034000  1
  O  O75  1  0.28042700  0.29697400  0.49034000  1
  O  O76  1  0.76187300  0.27696600  0.27228500  1
  O  O77  1  0.23812700  0.27696600  0.77228500  1
  O  O78  1  0.51412600  0.25154900  0.09468900  1
  O  O79  1  0.48587400  0.25154900  0.59468900  1
  O  O80  1  0.00781500  0.23778200  0.09289400  1
  O  O81  1  0.99218500  0.23778200  0.59289400  1
  O  O82  1  0.74044200  0.22298000  0.77667700  1
  O  O83  1  0.25955800  0.22298000  0.27667700  1
  O  O84  1  0.78088900  0.20268700  0.48747300  1
  O  O85  1  0.21911100  0.20268700  0.98747300  1
  O  O86  1  0.02695100  0.19409600  0.41621400  1
  O  O87  1  0.97304900  0.19409600  0.91621400  1
  O  O88  1  0.51861600  0.07405100  0.77508800  1
  O  O89  1  0.48138400  0.07405100  0.27508800  1
  O  O90  1  0.71846900  0.01579200  0.67210800  1
  O  O91  1  0.28153100  0.01579200  0.17210800  1
  O  O92  1  0.24938800  0.02175700  0.65201400  1
  O  O93  1  0.75061200  0.02175700  0.15201400  1
  O  O94  1  0.04813200  0.00352100  0.01773600  1
  O  O95  1  0.95186800  0.00352100  0.51773600  1
