# generated using pymatgen data_Ti7Cl16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.79394353 _cell_length_b 10.11719220 _cell_length_c 14.51898029 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti7Cl16 _chemical_formula_sum 'Ti14 Cl32' _cell_volume 997.97129333 _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 -0.00000000 0.00000000 0.00000000 1.0 Ti Ti1 1 0.50000000 0.50000000 0.50000000 1.0 Ti Ti2 1 0.50000000 0.53328245 0.76040771 1.0 Ti Ti3 1 0.50000000 0.46671755 0.23959229 1.0 Ti Ti4 1 -0.00000000 0.03328245 0.73959229 1.0 Ti Ti5 1 -0.00000000 0.96671755 0.26040771 1.0 Ti Ti6 1 0.70058573 0.74534318 0.86187177 1.0 Ti Ti7 1 0.70058573 0.25465682 0.13812823 1.0 Ti Ti8 1 0.79941527 0.24534318 0.63812823 1.0 Ti Ti9 1 0.79941527 0.75465682 0.36187177 1.0 Ti Ti10 1 0.29941527 0.25465682 0.13812823 1.0 Ti Ti11 1 0.29941527 0.74534318 0.86187177 1.0 Ti Ti12 1 0.20058573 0.75465682 0.36187177 1.0 Ti Ti13 1 0.20058573 0.24534318 0.63812823 1.0 Cl Cl14 1 0.50000000 0.75767104 0.99320757 1.0 Cl Cl15 1 0.50000000 0.24232896 0.00679243 1.0 Cl Cl16 1 -0.00000000 0.25767104 0.50679243 1.0 Cl Cl17 1 -0.00000000 0.74232896 0.49320757 1.0 Cl Cl18 1 -0.00000000 0.75595650 0.97957272 1.0 Cl Cl19 1 -0.00000000 0.24404350 0.02042728 1.0 Cl Cl20 1 0.50000000 0.25595650 0.52042728 1.0 Cl Cl21 1 0.50000000 0.74404350 0.47957272 1.0 Cl Cl22 1 -0.00000000 0.77367980 0.75106302 1.0 Cl Cl23 1 -0.00000000 0.22632020 0.24893698 1.0 Cl Cl24 1 0.50000000 0.27367980 0.74893698 1.0 Cl Cl25 1 0.50000000 0.72632020 0.25106302 1.0 Cl Cl26 1 0.50000000 0.76575044 0.72564294 1.0 Cl Cl27 1 0.50000000 0.23424956 0.27435706 1.0 Cl Cl28 1 -0.00000000 0.26575044 0.77435706 1.0 Cl Cl29 1 -0.00000000 0.73424956 0.22564294 1.0 Cl Cl30 1 0.74893649 -0.00064338 0.86832469 1.0 Cl Cl31 1 0.74893649 0.00064338 0.13167531 1.0 Cl Cl32 1 0.75106351 0.49935662 0.63167531 1.0 Cl Cl33 1 0.75106351 0.50064338 0.36832469 1.0 Cl Cl34 1 0.25106351 0.00064338 0.13167531 1.0 Cl Cl35 1 0.25106351 -0.00064338 0.86832469 1.0 Cl Cl36 1 0.24893649 0.50064338 0.36832469 1.0 Cl Cl37 1 0.24893649 0.49935662 0.63167531 1.0 Cl Cl38 1 0.75148598 0.51555683 0.87237143 1.0 Cl Cl39 1 0.75148598 0.48444317 0.12762857 1.0 Cl Cl40 1 0.74851402 0.01555683 0.62762857 1.0 Cl Cl41 1 0.74851402 0.98444317 0.37237143 1.0 Cl Cl42 1 0.24851402 0.48444317 0.12762857 1.0 Cl Cl43 1 0.24851402 0.51555683 0.87237143 1.0 Cl Cl44 1 0.25148598 0.98444317 0.37237143 1.0 Cl Cl45 1 0.25148598 0.01555683 0.62762857 1.0