# generated using pymatgen
data_Ca10TaTi8Al(SiO5)10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.67652600
_cell_length_b   7.20015252
_cell_length_c   22.42005782
_cell_angle_alpha   87.61942161
_cell_angle_beta   98.25571235
_cell_angle_gamma   113.05808206
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca10TaTi8Al(SiO5)10
_chemical_formula_sum   'Ca10 Ta1 Ti8 Al1 Si10 O50'
_cell_volume   981.26712437
_cell_formula_units_Z   1
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  0.55587600  0.27037800  0.13211500  1.0
  Ca  Ca1  1  0.04433100  0.75834000  0.06943400  1.0
  Ca  Ca2  1  0.16371000  0.25533200  0.32854400  1.0
  Ca  Ca3  1  0.63362600  0.73986200  0.26627400  1.0
  Ca  Ca4  1  0.77760600  0.23800700  0.52196200  1.0
  Ca  Ca5  1  0.23156500  0.72623200  0.46443400  1.0
  Ca  Ca6  1  0.33258900  0.19383400  0.74067600  1.0
  Ca  Ca7  1  0.73744400  0.86141700  0.68983600  1.0
  Ca  Ca8  1  0.99179300  0.20635200  0.93885200  1.0
  Ca  Ca9  1  0.45530900  0.81931400  0.86589500  1.0
  Ta  Ta10  1  0.87858600  0.55106100  0.79819300  1.0
  Ti  Ti11  1  0.53239700  0.52582000  0.99650600  1.0
  Ti  Ti12  1  0.51319000  0.01131100  0.00564900  1.0
  Ti  Ti13  1  0.09633800  0.50087900  0.19860800  1.0
  Ti  Ti14  1  0.09823600  0.00266900  0.20042200  1.0
  Ti  Ti15  1  0.69841100  0.49741200  0.39496100  1.0
  Ti  Ti16  1  0.69607200  0.99971500  0.39229800  1.0
  Ti  Ti17  1  0.31725900  0.49031100  0.60282600  1.0
  Ti  Ti18  1  0.33549900  0.03986700  0.58825000  1.0
  Al  Al19  1  0.99575500  0.68265600  0.60797000  1.0
  Si  Si20  1  0.56505300  0.74897200  0.12778200  1.0
  Si  Si21  1  0.01906000  0.23637100  0.07542500  1.0
  Si  Si22  1  0.16403700  0.74749200  0.32600900  1.0
  Si  Si23  1  0.63212700  0.24717300  0.26945500  1.0
  Si  Si24  1  0.76194300  0.75602800  0.52152500  1.0
  Si  Si25  1  0.24024600  0.25880700  0.46635800  1.0
  Si  Si26  1  0.28658000  0.73211200  0.72453500  1.0
  Si  Si27  1  0.83831800  0.28134500  0.67227700  1.0
  Si  Si28  1  0.96786600  0.77133500  0.92874400  1.0
  Si  Si29  1  0.45462900  0.23468600  0.87957400  1.0
  O  O30  1  0.22835400  0.36839200  0.03390000  1.0
  O  O31  1  0.44801600  0.88602800  0.08658000  1.0
  O  O32  1  0.53382200  0.25290300  0.02981500  1.0
  O  O33  1  0.64628700  0.61956700  0.08398200  1.0
  O  O34  1  0.82937400  0.06170600  0.03007800  1.0
  O  O35  1  0.77088800  0.89394800  0.17675400  1.0
  O  O36  1  0.94301700  0.35849800  0.12196200  1.0
  O  O37  1  0.08616900  0.74135600  0.17327300  1.0
  O  O38  1  0.79645100  0.40756100  0.22618900  1.0
  O  O39  1  0.14837500  0.10696800  0.11775000  1.0
  O  O40  1  0.04870800  0.88494300  0.28536600  1.0
  O  O41  1  0.39837100  0.58531500  0.17128100  1.0
  O  O42  1  0.11349100  0.24458800  0.22779400  1.0
  O  O43  1  0.24259000  0.61213300  0.28368500  1.0
  O  O44  1  0.42711700  0.09363100  0.22288000  1.0
  O  O45  1  0.37219300  0.89626900  0.37413400  1.0
  O  O46  1  0.55487300  0.38149100  0.31275700  1.0
  O  O47  1  0.69377800  0.75056100  0.37072500  1.0
  O  O48  1  0.39669900  0.41708000  0.42126100  1.0
  O  O49  1  0.74917300  0.11019800  0.31141800  1.0
  O  O50  1  0.62875100  0.87989300  0.48506000  1.0
  O  O51  1  0.00331900  0.59021900  0.37197300  1.0
  O  O52  1  0.71107900  0.24865800  0.42166000  1.0
  O  O53  1  0.83693000  0.60914200  0.48312800  1.0
  O  O54  1  0.03103300  0.09851500  0.42287900  1.0
  O  O55  1  0.98977400  0.91135300  0.56355000  1.0
  O  O56  1  0.17119500  0.38980300  0.51303600  1.0
  O  O57  1  0.26268800  0.74671800  0.57858700  1.0
  O  O58  1  0.96898300  0.42537900  0.61688200  1.0
  O  O59  1  0.37837900  0.13671400  0.50854300  1.0
  O  O60  1  0.08683200  0.78576200  0.68201700  1.0
  O  O61  1  0.66460600  0.61958400  0.58264500  1.0
  O  O62  1  0.30307500  0.23413200  0.63079600  1.0
  O  O63  1  0.38461800  0.60040300  0.68756500  1.0
  O  O64  1  0.64195000  0.10531200  0.62622800  1.0
  O  O65  1  0.48352600  0.94205400  0.74648500  1.0
  O  O66  1  0.75299900  0.40749300  0.71544000  1.0
  O  O67  1  0.82075500  0.76742000  0.78035800  1.0
  O  O68  1  0.61313900  0.37742100  0.82943600  1.0
  O  O69  1  0.98237800  0.17911400  0.71212600  1.0
  O  O70  1  0.83070400  0.89539500  0.89589900  1.0
  O  O71  1  0.18388600  0.60134800  0.78307600  1.0
  O  O72  1  0.05015600  0.45242100  0.01515000  1.0
  O  O73  1  0.02672000  0.62841800  0.88283900  1.0
  O  O74  1  0.26958600  0.06120300  0.83681500  1.0
  O  O75  1  0.18550600  0.92106300  0.97363800  1.0
  O  O76  1  0.37261700  0.37475100  0.91826200  1.0
  O  O77  1  0.47043600  0.73730600  0.97143400  1.0
  O  O78  1  0.60220100  0.13173900  0.92402200  1.0
  O  O79  1  0.81354000  0.61500800  0.97674800  1.0