# generated using pymatgen data_K3Tl(Cl3O)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.66918900 _cell_length_b 14.66918900 _cell_length_c 14.66918900 _cell_angle_alpha 114.33096564 _cell_angle_beta 114.33096564 _cell_angle_gamma 100.13605761 _symmetry_Int_Tables_number 1 _chemical_formula_structural K3Tl(Cl3O)2 _chemical_formula_sum 'K21 Tl7 Cl42 O14' _cell_volume 2382.71878496 _cell_formula_units_Z 7 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 K K0 1 0.50000000 0.50000000 0.00000000 1.0 K K1 1 0.21263800 0.21263800 0.42527600 1.0 K K2 1 0.78736200 0.78736200 0.57472400 1.0 K K3 1 0.21263800 0.78736200 0.00000000 1.0 K K4 1 0.78736200 0.21263800 0.00000000 1.0 K K5 1 0.86000300 0.14752300 0.28752000 1.0 K K6 1 0.86000300 0.57248300 0.71248000 1.0 K K7 1 0.14752300 0.86000300 0.28752000 1.0 K K8 1 0.57248300 0.86000300 0.71248000 1.0 K K9 1 0.13999700 0.85247700 0.71248000 1.0 K K10 1 0.13999700 0.42751700 0.28752000 1.0 K K11 1 0.85247700 0.13999700 0.71248000 1.0 K K12 1 0.42751700 0.13999700 0.28752000 1.0 K K13 1 0.62520300 0.90519500 0.27999200 1.0 K K14 1 0.62520300 0.34521100 0.72000800 1.0 K K15 1 0.90519500 0.62520300 0.27999200 1.0 K K16 1 0.34521100 0.62520300 0.72000800 1.0 K K17 1 0.37479700 0.09480500 0.72000800 1.0 K K18 1 0.37479700 0.65478900 0.27999200 1.0 K K19 1 0.09480500 0.37479700 0.72000800 1.0 K K20 1 0.65478900 0.37479700 0.27999200 1.0 Tl Tl21 1 0.00000000 0.00000000 0.00000000 1.0 Tl Tl22 1 0.00000000 0.50000000 0.50000000 1.0 Tl Tl23 1 0.50000000 0.00000000 0.50000000 1.0 Tl Tl24 1 0.00000000 0.00000000 0.50000000 1.0 Tl Tl25 1 0.50000000 0.50000000 0.50000000 1.0 Tl Tl26 1 0.00000000 0.50000000 0.00000000 1.0 Tl Tl27 1 0.50000000 0.00000000 0.00000000 1.0 Cl Cl28 1 0.83573400 0.83573400 0.00000000 1.0 Cl Cl29 1 0.16426600 0.16426600 0.00000000 1.0 Cl Cl30 1 0.16075700 0.00000000 0.16075700 1.0 Cl Cl31 1 0.83924300 0.00000000 0.83924300 1.0 Cl Cl32 1 0.00000000 0.83924300 0.83924300 1.0 Cl Cl33 1 0.00000000 0.16075700 0.16075700 1.0 Cl Cl34 1 0.86627400 0.36627400 0.50000000 1.0 Cl Cl35 1 0.36627400 0.86627400 0.50000000 1.0 Cl Cl36 1 0.13372600 0.63372600 0.50000000 1.0 Cl Cl37 1 0.63372600 0.13372600 0.50000000 1.0 Cl Cl38 1 0.38137900 0.12069400 0.50207300 1.0 Cl Cl39 1 0.61862100 0.87930600 0.49792700 1.0 Cl Cl40 1 0.38137900 0.87930600 0.26068500 1.0 Cl Cl41 1 0.61862100 0.12069400 0.73931500 1.0 Cl Cl42 1 0.12069400 0.61862100 0.73931500 1.0 Cl Cl43 1 0.87930600 0.38137900 0.26068500 1.0 Cl Cl44 1 0.12069400 0.38137900 0.50207300 1.0 Cl Cl45 1 0.87930600 0.61862100 0.49792700 1.0 Cl Cl46 1 0.81644500 0.47069000 0.00000000 1.0 Cl Cl47 1 0.47069000 0.81644500 0.00000000 1.0 Cl Cl48 1 0.81644500 0.81644500 0.34575400 1.0 Cl Cl49 1 0.47069000 0.47069000 0.65424600 1.0 Cl Cl50 1 0.18355500 0.52931000 0.00000000 1.0 Cl Cl51 1 0.52931000 0.18355500 0.00000000 1.0 Cl Cl52 1 0.18355500 0.18355500 0.65424600 1.0 Cl Cl53 1 0.52931000 0.52931000 0.34575400 1.0 Cl Cl54 1 0.00749500 0.68176100 0.00000000 1.0 Cl Cl55 1 0.68176100 0.00749500 0.00000000 1.0 Cl Cl56 1 0.00749500 0.00749500 0.32573400 1.0 Cl Cl57 1 0.68176100 0.68176100 0.67426600 1.0 Cl Cl58 1 0.99250500 0.31823900 0.00000000 1.0 Cl Cl59 1 0.31823900 0.99250500 0.00000000 1.0 Cl Cl60 1 0.99250500 0.99250500 0.67426600 1.0 Cl Cl61 1 0.31823900 0.31823900 0.32573400 1.0 Cl Cl62 1 0.11725300 0.61725300 0.23450500 1.0 Cl Cl63 1 0.38274700 0.88274700 0.76549500 1.0 Cl Cl64 1 0.11725300 0.88274700 0.50000000 1.0 Cl Cl65 1 0.38274700 0.61725300 0.50000000 1.0 Cl Cl66 1 0.61725300 0.38274700 0.50000000 1.0 Cl Cl67 1 0.88274700 0.11725300 0.50000000 1.0 Cl Cl68 1 0.61725300 0.11725300 0.23450500 1.0 Cl Cl69 1 0.88274700 0.38274700 0.76549500 1.0 O O70 1 0.65805900 0.65805900 0.00000000 1.0 O O71 1 0.34194100 0.34194100 0.00000000 1.0 O O72 1 0.67890800 0.50000000 0.17890800 1.0 O O73 1 0.32109200 0.50000000 0.82109200 1.0 O O74 1 0.50000000 0.32109200 0.82109200 1.0 O O75 1 0.50000000 0.67890800 0.17890800 1.0 O O76 1 0.73659400 0.83616400 0.09957000 1.0 O O77 1 0.73659400 0.63702400 0.90043000 1.0 O O78 1 0.83616400 0.73659400 0.09957000 1.0 O O79 1 0.63702400 0.73659400 0.90043000 1.0 O O80 1 0.26340600 0.16383600 0.90043000 1.0 O O81 1 0.26340600 0.36297600 0.09957000 1.0 O O82 1 0.16383600 0.26340600 0.90043000 1.0 O O83 1 0.36297600 0.26340600 0.09957000 1.0