# generated using pymatgen data_KAlSi3Ni3(HO6)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33073600 _cell_length_b 5.33626873 _cell_length_c 10.53341537 _cell_angle_alpha 99.71204616 _cell_angle_beta 85.22362693 _cell_angle_gamma 119.92725778 _symmetry_Int_Tables_number 1 _chemical_formula_structural KAlSi3Ni3(HO6)2 _chemical_formula_sum 'K1 Al1 Si3 Ni3 H2 O12' _cell_volume 255.96053502 _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 K K0 1 0.99980800 0.00808800 0.02433800 1.0 Al Al1 1 0.66618200 0.40986700 0.23119600 1.0 Si Si2 1 0.33384700 0.74217900 0.22596300 1.0 Si Si3 1 0.33219400 0.58824800 0.76524300 1.0 Si Si4 1 0.66587300 0.25301200 0.76515700 1.0 Ni Ni5 1 0.33683300 0.16507700 0.49614900 1.0 Ni Ni6 1 0.66374900 0.82737100 0.49595700 1.0 Ni Ni7 1 0.99924800 0.50325600 0.49603400 1.0 H H8 1 0.00015600 0.10772900 0.31068900 1.0 H H9 1 0.00556200 0.89927500 0.69343200 1.0 O O10 1 0.99940600 0.13625900 0.40439800 1.0 O O11 1 0.00331100 0.86956300 0.59972000 1.0 O O12 1 0.66417500 0.46443700 0.40035100 1.0 O O13 1 0.33458900 0.79536200 0.38667000 1.0 O O14 1 0.33092700 0.53882000 0.60981800 1.0 O O15 1 0.66588700 0.19927000 0.60975800 1.0 O O16 1 0.57067500 0.63989800 0.17063700 1.0 O O17 1 0.41702500 0.04398800 0.17076900 1.0 O O18 1 0.47382300 0.41467300 0.82297300 1.0 O O19 1 0.52501400 0.94061700 0.82496600 1.0 O O20 1 0.01276200 0.48702500 0.17138400 1.0 O O21 1 0.99895700 0.46598500 0.82440000 1.0