# generated using pymatgen
data_CsLi5Mn(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17244525
_cell_length_b   12.73003845
_cell_length_c   19.99365749
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsLi5Mn(P2O7)2
_chemical_formula_sum   'Cs4 Li20 Mn4 P16 O56'
_cell_volume   1316.49091298
_cell_formula_units_Z   4
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
  Cs  Cs0  1  0.00000000  0.75000000  0.19326878  1
  Cs  Cs1  1  0.50000000  0.25000000  0.30673122  1
  Cs  Cs2  1  0.00000000  0.25000000  0.80673122  1
  Cs  Cs3  1  0.50000000  0.75000000  0.69326878  1
  Li  Li4  1  0.03365721  0.50114629  0.30022456  1
  Li  Li5  1  0.46634279  0.00114629  0.19977544  1
  Li  Li6  1  0.53365721  0.49885371  0.19977544  1
  Li  Li7  1  0.96634279  0.99885371  0.30022456  1
  Li  Li8  1  0.96634279  0.49885371  0.69977544  1
  Li  Li9  1  0.53365721  0.99885371  0.80022456  1
  Li  Li10  1  0.46634279  0.50114629  0.80022456  1
  Li  Li11  1  0.03365721  0.00114629  0.69977544  1
  Li  Li12  1  0.02254247  0.60060507  0.40916737  1
  Li  Li13  1  0.47745753  0.10060507  0.09083263  1
  Li  Li14  1  0.52254247  0.39939493  0.09083263  1
  Li  Li15  1  0.97745753  0.89939493  0.40916737  1
  Li  Li16  1  0.97745753  0.39939493  0.59083263  1
  Li  Li17  1  0.52254247  0.89939493  0.90916737  1
  Li  Li18  1  0.47745753  0.60060507  0.90916737  1
  Li  Li19  1  0.02254247  0.10060507  0.59083263  1
  Li  Li20  1  0.00000000  -0.00000000  -0.00000000  1
  Li  Li21  1  0.50000000  0.50000000  0.50000000  1
  Li  Li22  1  0.50000000  -0.00000000  0.50000000  1
  Li  Li23  1  0.00000000  0.50000000  -0.00000000  1
  Mn  Mn24  1  0.00000000  0.75000000  0.97449195  1
  Mn  Mn25  1  0.50000000  0.25000000  0.52550805  1
  Mn  Mn26  1  0.00000000  0.25000000  0.02550805  1
  Mn  Mn27  1  0.50000000  0.75000000  0.47449195  1
  P  P28  1  0.51738835  0.86460663  0.05495052  1
  P  P29  1  0.98261165  0.36460663  0.44504948  1
  P  P30  1  0.01738835  0.13539337  0.44504948  1
  P  P31  1  0.48261165  0.63539337  0.05495052  1
  P  P32  1  0.48261165  0.13539337  0.94504948  1
  P  P33  1  0.01738835  0.63539337  0.55495052  1
  P  P34  1  0.98261165  0.86460663  0.55495052  1
  P  P35  1  0.51738835  0.36460663  0.94504948  1
  P  P36  1  0.51896601  0.63486087  0.32500816  1
  P  P37  1  0.98103399  0.13486087  0.17499184  1
  P  P38  1  0.01896601  0.36513913  0.17499184  1
  P  P39  1  0.48103399  0.86513913  0.32500816  1
  P  P40  1  0.48103399  0.36513913  0.67499184  1
  P  P41  1  0.01896601  0.86513913  0.82500816  1
  P  P42  1  0.98103399  0.63486087  0.82500816  1
  P  P43  1  0.51896601  0.13486087  0.67499184  1
  O  O44  1  0.34126020  0.85779253  0.99250314  1
  O  O45  1  0.15873980  0.35779253  0.50749686  1
  O  O46  1  0.84126020  0.14220747  0.50749686  1
  O  O47  1  0.65873980  0.64220747  0.99250314  1
  O  O48  1  0.65873980  0.14220747  0.00749686  1
  O  O49  1  0.84126020  0.64220747  0.49250314  1
  O  O50  1  0.15873980  0.85779253  0.49250314  1
  O  O51  1  0.34126020  0.35779253  0.00749686  1
  O  O52  1  0.80361305  0.87666538  0.03486952  1
  O  O53  1  0.69638695  0.37666538  0.46513048  1
  O  O54  1  0.30361305  0.12333462  0.46513048  1
  O  O55  1  0.19638695  0.62333462  0.03486952  1
  O  O56  1  0.19638695  0.12333462  0.96513048  1
  O  O57  1  0.30361305  0.62333462  0.53486952  1
  O  O58  1  0.69638695  0.87666538  0.53486952  1
  O  O59  1  0.80361305  0.37666538  0.96513048  1
  O  O60  1  0.80829002  0.61362617  0.33031068  1
  O  O61  1  0.69170998  0.11362617  0.16968932  1
  O  O62  1  0.30829002  0.38637383  0.16968932  1
  O  O63  1  0.19170998  0.88637383  0.33031068  1
  O  O64  1  0.19170998  0.38637383  0.66968932  1
  O  O65  1  0.30829002  0.88637383  0.83031068  1
  O  O66  1  0.69170998  0.61362617  0.83031068  1
  O  O67  1  0.80829002  0.11362617  0.66968932  1
  O  O68  1  0.11699251  0.64528255  0.89328158  1
  O  O69  1  0.38300749  0.14528255  0.60671842  1
  O  O70  1  0.61699251  0.35471745  0.60671842  1
  O  O71  1  0.88300749  0.85471745  0.89328158  1
  O  O72  1  0.88300749  0.35471745  0.10671842  1
  O  O73  1  0.61699251  0.85471745  0.39328158  1
  O  O74  1  0.38300749  0.64528255  0.39328158  1
  O  O75  1  0.11699251  0.14528255  0.10671842  1
  O  O76  1  0.87523054  0.43824238  0.22283224  1
  O  O77  1  0.62476946  0.93824238  0.27716776  1
  O  O78  1  0.37523054  0.56175762  0.27716776  1
  O  O79  1  0.12476946  0.06175762  0.22283224  1
  O  O80  1  0.12476946  0.56175762  0.77716776  1
  O  O81  1  0.37523054  0.06175762  0.72283224  1
  O  O82  1  0.62476946  0.43824238  0.72283224  1
  O  O83  1  0.87523054  0.93824238  0.77716776  1
  O  O84  1  0.50000000  0.75000000  0.09297395  1
  O  O85  1  0.00000000  0.25000000  0.40702605  1
  O  O86  1  0.50000000  0.25000000  0.90702605  1
  O  O87  1  0.00000000  0.75000000  0.59297395  1
  O  O88  1  0.42491585  0.94301002  0.10666381  1
  O  O89  1  0.07508415  0.44301002  0.39333619  1
  O  O90  1  0.92491585  0.05698998  0.39333619  1
  O  O91  1  0.57508415  0.55698998  0.10666381  1
  O  O92  1  0.57508415  0.05698998  0.89333619  1
  O  O93  1  0.92491585  0.55698998  0.60666381  1
  O  O94  1  0.07508415  0.94301002  0.60666381  1
  O  O95  1  0.42491585  0.44301002  0.89333619  1
  O  O96  1  0.50000000  0.75000000  0.28778425  1
  O  O97  1  0.00000000  0.25000000  0.21221575  1
  O  O98  1  0.50000000  0.25000000  0.71221575  1
  O  O99  1  0.00000000  0.75000000  0.78778425  1
