# generated using pymatgen
data_Ca9LaTi6Mn4O30
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41380125
_cell_length_b   5.46916819
_cell_length_c   38.42007073
_cell_angle_alpha   89.94115510
_cell_angle_beta   90.05487439
_cell_angle_gamma   89.91859979
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca9LaTi6Mn4O30
_chemical_formula_sum   'Ca18 La2 Ti12 Mn8 O60'
_cell_volume   1137.57720381
_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
  Ca  Ca0  1  0.01210411  0.96377686  0.15063473  1.0
  Ca  Ca1  1  0.01202287  0.96391667  0.35035566  1.0
  Ca  Ca2  1  0.01132208  0.96484702  0.55006307  1.0
  Ca  Ca3  1  0.01258478  0.96746776  0.75158750  1.0
  Ca  Ca4  1  0.48961473  0.46063367  0.35048623  1.0
  Ca  Ca5  1  0.48974707  0.46086842  0.15065441  1.0
  Ca  Ca6  1  0.49111908  0.46019345  0.54926207  1.0
  Ca  Ca7  1  0.49292021  0.45895604  0.75277710  1.0
  Ca  Ca8  1  0.49101525  0.46293202  0.94802684  1.0
  Ca  Ca9  1  0.50901769  0.53710131  0.04918536  1.0
  Ca  Ca10  1  0.51020840  0.53909595  0.24926043  1.0
  Ca  Ca11  1  0.51011551  0.53912761  0.44889604  1.0
  Ca  Ca12  1  0.51036406  0.53812239  0.85112700  1.0
  Ca  Ca13  1  0.98885209  0.03545216  0.05010324  1.0
  Ca  Ca14  1  0.98771824  0.03614002  0.24944329  1.0
  Ca  Ca15  1  0.98765863  0.03271782  0.65078201  1.0
  Ca  Ca16  1  0.98774427  0.03605073  0.44918878  1.0
  Ca  Ca17  1  0.98775793  0.03628266  0.84984513  1.0
  La  La18  1  0.00571813  0.97432979  0.94800694  1.0
  La  La19  1  0.50350567  0.52946722  0.65084994  1.0
  Ti  Ti20  1  0.99820369  0.49961136  0.10043356  1.0
  Ti  Ti21  1  -0.00010405  0.50008604  0.29983608  1.0
  Ti  Ti22  1  0.00235874  0.49996866  0.49911877  1.0
  Ti  Ti23  1  0.00207572  0.49864143  0.70276853  1.0
  Ti  Ti24  1  0.49873977  0.99873015  0.09970959  1.0
  Ti  Ti25  1  0.49982634  0.99996962  0.29996055  1.0
  Ti  Ti26  1  0.50242453  0.00006663  0.50012534  1.0
  Ti  Ti27  1  0.00036958  0.49897582  0.00053096  1.0
  Ti  Ti28  1  0.00066433  0.50003112  0.20015091  1.0
  Ti  Ti29  1  0.99905922  0.49980436  0.39951636  1.0
  Ti  Ti30  1  -0.00003107  0.49823895  0.59869439  1.0
  Ti  Ti31  1  0.00074367  0.50273250  0.80172793  1.0
  Mn  Mn32  1  0.00068080  0.49950477  0.89907252  1.0
  Mn  Mn33  1  0.49942017  0.99936652  0.00003821  1.0
  Mn  Mn34  1  0.50035315  0.00013905  0.19992630  1.0
  Mn  Mn35  1  0.49943691  0.99982605  0.40004860  1.0
  Mn  Mn36  1  0.50279141  0.99981587  0.70154020  1.0
  Mn  Mn37  1  0.49991092  0.99961625  0.89843410  1.0
  Mn  Mn38  1  0.50006723  0.99953329  0.59968681  1.0
  Mn  Mn39  1  0.50024815  0.00039671  0.80036532  1.0
  O  O40  1  0.07773115  0.48327609  0.04944001  1.0
  O  O41  1  0.07839668  0.48270265  0.24979691  1.0
  O  O42  1  0.07839952  0.48254035  0.44991259  1.0
  O  O43  1  0.06189032  0.48749772  0.65000472  1.0
  O  O44  1  0.07636676  0.48493642  0.85023305  1.0
  O  O45  1  0.21430491  0.21519554  0.10820574  1.0
  O  O46  1  0.21537419  0.21608810  0.30844126  1.0
  O  O47  1  0.22146743  0.21812354  0.19130915  1.0
  O  O48  1  0.21293670  0.21742496  0.50871449  1.0
  O  O49  1  0.22472930  0.22191022  0.70831323  1.0
  O  O50  1  0.22052964  0.21770013  0.39139356  1.0
  O  O51  1  0.22474720  0.22232488  0.59175424  1.0
  O  O52  1  0.22358509  0.22387826  0.90729180  1.0
  O  O53  1  0.21853575  0.21910740  0.79199257  1.0
  O  O54  1  0.22556796  0.21988478  0.99202472  1.0
  O  O55  1  0.28338285  0.72133185  0.19149286  1.0
  O  O56  1  0.28421240  0.71606864  0.30837538  1.0
  O  O57  1  0.28332769  0.72059873  0.39157294  1.0
  O  O58  1  0.28416589  0.71462066  0.10826724  1.0
  O  O59  1  0.28549809  0.71917258  0.59212982  1.0
  O  O60  1  0.28157029  0.71730761  0.50849300  1.0
  O  O61  1  0.28617172  0.71810237  0.70804886  1.0
  O  O62  1  0.28068402  0.72102452  0.79195750  1.0
  O  O63  1  0.27923756  0.71975024  0.90827805  1.0
  O  O64  1  0.28172715  0.72206760  0.99123963  1.0
  O  O65  1  0.41913217  0.98020806  0.05006908  1.0
  O  O66  1  0.41891177  0.98215284  0.24947664  1.0
  O  O67  1  0.41993764  0.99099319  0.64929176  1.0
  O  O68  1  0.41741392  0.97923063  0.84956979  1.0
  O  O69  1  0.41831796  0.98276035  0.44931378  1.0
  O  O70  1  0.58123082  0.01798581  0.35040530  1.0
  O  O71  1  0.58071633  0.01759272  0.15050993  1.0
  O  O72  1  0.58225069  0.01784020  0.54925894  1.0
  O  O73  1  0.58346509  0.01875788  0.75110841  1.0
  O  O74  1  0.56677569  0.01578658  0.95055458  1.0
  O  O75  1  0.72229195  0.27457828  0.00776314  1.0
  O  O76  1  0.71559068  0.28376019  0.09128243  1.0
  O  O77  1  0.71675166  0.27880625  0.20832258  1.0
  O  O78  1  0.71564143  0.28411357  0.29153481  1.0
  O  O79  1  0.72106376  0.27603544  0.60777511  1.0
  O  O80  1  0.71693177  0.27873155  0.40842037  1.0
  O  O81  1  0.71316352  0.28695857  0.49164240  1.0
  O  O82  1  0.72414137  0.27788350  0.89191051  1.0
  O  O83  1  0.72275290  0.27576259  0.69273418  1.0
  O  O84  1  0.71463639  0.28173923  0.80825033  1.0
  O  O85  1  0.78037792  0.78192694  0.00760980  1.0
  O  O86  1  0.77906571  0.78233959  0.20848085  1.0
  O  O87  1  0.78461698  0.78308156  0.09133335  1.0
  O  O88  1  0.77882985  0.78173652  0.40863108  1.0
  O  O89  1  0.77699561  0.78121001  0.60891863  1.0
  O  O90  1  0.77778085  0.77979643  0.69167876  1.0
  O  O91  1  0.77932232  0.78227485  0.80839226  1.0
  O  O92  1  0.78462082  0.78405515  0.29146043  1.0
  O  O93  1  0.78343534  0.78477323  0.49139262  1.0
  O  O94  1  0.78609401  0.78239252  0.89192589  1.0
  O  O95  1  0.92162641  0.51706224  0.14998591  1.0
  O  O96  1  0.92119137  0.51745510  0.35013082  1.0
  O  O97  1  0.92031473  0.52018682  0.55029236  1.0
  O  O98  1  0.92431290  0.51811741  0.75025211  1.0
  O  O99  1  0.92740744  0.50674363  0.94941694  1.0