# generated using pymatgen data_Ti(PO3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.90711443 _cell_length_b 11.90711443 _cell_length_c 9.71099519 _cell_angle_alpha 69.95929762 _cell_angle_beta 69.95929762 _cell_angle_gamma 110.78832492 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti(PO3)3 _chemical_formula_sum 'Ti6 P18 O54' _cell_volume 1026.45109599 _cell_formula_units_Z 6 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 0.90954800 0.75042000 0.17436800 1.0 Ti Ti1 1 0.75042000 0.90954800 0.67436800 1.0 Ti Ti2 1 0.42029800 0.24405000 0.67315900 1.0 Ti Ti3 1 0.24405000 0.42029800 0.17315900 1.0 Ti Ti4 1 0.05576400 0.56590700 0.70927900 1.0 Ti Ti5 1 0.56590700 0.05576400 0.20927900 1.0 P P6 1 0.50618300 0.44998500 0.83455800 1.0 P P7 1 0.44998500 0.50618300 0.33455800 1.0 P P8 1 0.65948300 0.72314000 0.49841800 1.0 P P9 1 0.72314000 0.65948300 0.99841800 1.0 P P10 1 0.07100600 0.11485500 0.90276800 1.0 P P11 1 0.11485500 0.07100600 0.40276800 1.0 P P12 1 0.15807000 0.76357600 0.87005500 1.0 P P13 1 0.76357600 0.15807000 0.37005500 1.0 P P14 1 0.09798700 0.82533600 0.36124000 1.0 P P15 1 0.82533600 0.09798700 0.86124000 1.0 P P16 1 0.41153000 0.69833000 0.46631100 1.0 P P17 1 0.69833000 0.41153000 0.96631100 1.0 P P18 1 0.30960300 0.03719300 0.52587400 1.0 P P19 1 0.03719300 0.30960300 0.02587400 1.0 P P20 1 0.37823000 0.98217200 0.02443700 1.0 P P21 1 0.98217200 0.37823000 0.52443700 1.0 P P22 1 0.77134500 0.39523400 0.41954700 1.0 P P23 1 0.39523400 0.77134500 0.91954700 1.0 O O24 1 0.99281200 0.96287100 0.04464200 1.0 O O25 1 0.96287100 0.99281200 0.54464200 1.0 O O26 1 0.72513900 0.72772300 0.33252300 1.0 O O27 1 0.72772300 0.72513900 0.83252300 1.0 O O28 1 0.85333300 0.73718200 0.99884100 1.0 O O29 1 0.73718200 0.85333300 0.49884100 1.0 O O30 1 0.09383700 0.76593200 0.03128200 1.0 O O31 1 0.76593200 0.09383700 0.53128200 1.0 O O32 1 0.97290800 0.76087500 0.34547000 1.0 O O33 1 0.76087500 0.97290800 0.84547000 1.0 O O34 1 0.80893100 0.53693500 0.29059700 1.0 O O35 1 0.53693500 0.80893100 0.79059700 1.0 O O36 1 0.42316900 0.34568300 0.80025000 1.0 O O37 1 0.34568300 0.42316900 0.30025000 1.0 O O38 1 0.21518300 0.17903800 0.75355800 1.0 O O39 1 0.17903800 0.21518300 0.25355800 1.0 O O40 1 0.48358300 0.42693000 0.45401500 1.0 O O41 1 0.42693000 0.48358300 0.95401500 1.0 O O42 1 0.34857400 0.06224600 0.89964700 1.0 O O43 1 0.06224600 0.34857400 0.39964700 1.0 O O44 1 0.62730900 0.29956000 0.58265000 1.0 O O45 1 0.29956000 0.62730900 0.08265000 1.0 O O46 1 0.40845400 0.14443700 0.54312500 1.0 O O47 1 0.14443700 0.40845400 0.04312500 1.0 O O48 1 0.84674600 0.49589200 0.81343200 1.0 O O49 1 0.49589200 0.84674600 0.31343200 1.0 O O50 1 0.08720700 0.74636400 0.52777800 1.0 O O51 1 0.74636400 0.08720700 0.02777800 1.0 O O52 1 0.00216000 0.37494400 0.89824300 1.0 O O53 1 0.37494400 0.00216000 0.39824300 1.0 O O54 1 0.26716200 0.64500300 0.60633800 1.0 O O55 1 0.64500300 0.26716200 0.10633800 1.0 O O56 1 0.07262300 0.63502100 0.87168200 1.0 O O57 1 0.63502100 0.07262300 0.37168200 1.0 O O58 1 0.06554900 0.48777900 0.55161100 1.0 O O59 1 0.48777900 0.06554900 0.05161100 1.0 O O60 1 0.63488400 0.59040700 0.65232100 1.0 O O61 1 0.59040700 0.63488400 0.15232100 1.0 O O62 1 0.49770300 0.67799100 0.55897400 1.0 O O63 1 0.67799100 0.49770300 0.05897400 1.0 O O64 1 0.59146700 0.39217400 0.89985200 1.0 O O65 1 0.39217400 0.59146700 0.39985200 1.0 O O66 1 0.98331700 0.14097500 0.81591700 1.0 O O67 1 0.14097500 0.98331700 0.31591700 1.0 O O68 1 0.19100000 0.89828900 0.71194200 1.0 O O69 1 0.89828900 0.19100000 0.21194200 1.0 O O70 1 0.23563400 0.85742400 0.20697600 1.0 O O71 1 0.85742400 0.23563400 0.70697600 1.0 O O72 1 0.88978100 0.42872400 0.46664800 1.0 O O73 1 0.42872400 0.88978100 0.96664800 1.0 O O74 1 0.31506800 0.79546000 0.81844100 1.0 O O75 1 0.79546000 0.31506800 0.31844100 1.0 O O76 1 0.08730000 0.21066300 0.98553400 1.0 O O77 1 0.21066300 0.08730000 0.48553400 1.0