# generated using pymatgen
data_Ti12AlSi3C8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15953256
_cell_length_b   6.15982285
_cell_length_c   17.91182309
_cell_angle_alpha   89.98973212
_cell_angle_beta   90.00197291
_cell_angle_gamma   119.99180140
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti12AlSi3C8
_chemical_formula_sum   'Ti24 Al2 Si6 C16'
_cell_volume   588.60272247
_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
  Ti  Ti0  1  0.00034000  0.00007400  0.00011200  1.0
  Ti  Ti1  1  0.00060300  0.50002900  0.00022100  1.0
  Ti  Ti2  1  0.50059700  0.50013900  0.99999100  1.0
  Ti  Ti3  1  0.50064400  0.00002200  0.00010700  1.0
  Ti  Ti4  1  0.00021200  0.00003800  0.49987200  1.0
  Ti  Ti5  1  0.00040800  0.49995100  0.49977800  1.0
  Ti  Ti6  1  0.50050100  0.50008100  0.49999200  1.0
  Ti  Ti7  1  0.50058000  0.00005500  0.49988400  1.0
  Ti  Ti8  1  0.66445700  0.83223000  0.86752900  1.0
  Ti  Ti9  1  0.66724600  0.33352000  0.86447200  1.0
  Ti  Ti10  1  0.16841000  0.33618800  0.86767500  1.0
  Ti  Ti11  1  0.16842800  0.83208800  0.86776700  1.0
  Ti  Ti12  1  0.83238700  0.16793700  0.13265900  1.0
  Ti  Ti13  1  0.33391200  0.66662200  0.13570400  1.0
  Ti  Ti14  1  0.83238500  0.66394400  0.13252500  1.0
  Ti  Ti15  1  0.33651200  0.16805100  0.13243500  1.0
  Ti  Ti16  1  0.66444700  0.83218800  0.63259900  1.0
  Ti  Ti17  1  0.66722300  0.33347800  0.63563200  1.0
  Ti  Ti18  1  0.16840400  0.33615700  0.63246200  1.0
  Ti  Ti19  1  0.16841500  0.83203800  0.63238700  1.0
  Ti  Ti20  1  0.83221100  0.16788900  0.36722500  1.0
  Ti  Ti21  1  0.33369100  0.66659500  0.36416800  1.0
  Ti  Ti22  1  0.83216300  0.66388300  0.36735400  1.0
  Ti  Ti23  1  0.33636800  0.16805200  0.36743900  1.0
  Al  Al24  1  0.00060300  0.99991700  0.75012700  1.0
  Al  Al25  1  0.00079700  0.00024500  0.24988800  1.0
  Si  Si26  1  0.01118800  0.50561500  0.75012200  1.0
  Si  Si27  1  0.49548700  0.50575900  0.75011500  1.0
  Si  Si28  1  0.49487000  0.98947000  0.75011400  1.0
  Si  Si29  1  0.98979200  0.49430100  0.24987100  1.0
  Si  Si30  1  0.50559300  0.49449700  0.24986600  1.0
  Si  Si31  1  0.50569900  0.01073100  0.24987800  1.0
  C  C32  1  0.66619700  0.83291300  0.42807700  1.0
  C  C33  1  0.66710400  0.33322100  0.42916500  1.0
  C  C34  1  0.16732800  0.33406500  0.42807400  1.0
  C  C35  1  0.16737700  0.83291100  0.42806700  1.0
  C  C36  1  0.83331200  0.16713800  0.57170600  1.0
  C  C37  1  0.33388700  0.66683000  0.57065300  1.0
  C  C38  1  0.83329800  0.66599500  0.57171300  1.0
  C  C39  1  0.33453400  0.16714400  0.57172900  1.0
  C  C40  1  0.66631900  0.83295100  0.07184900  1.0
  C  C41  1  0.66720300  0.33327900  0.07079800  1.0
  C  C42  1  0.16746900  0.33412900  0.07187100  1.0
  C  C43  1  0.16748900  0.83292800  0.07187900  1.0
  C  C44  1  0.83344500  0.16712800  0.92837900  1.0
  C  C45  1  0.33397200  0.66685100  0.92937800  1.0
  C  C46  1  0.83341600  0.66607900  0.92835000  1.0
  C  C47  1  0.33457900  0.16715400  0.92834300  1.0