# generated using pymatgen data_K2NaCa2TiSi7HO20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.49955000 _cell_length_b 12.35026229 _cell_length_c 7.14236636 _cell_angle_alpha 90.78929297 _cell_angle_beta 99.18462486 _cell_angle_gamma 92.71345478 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2NaCa2TiSi7HO20 _chemical_formula_sum 'K4 Na2 Ca4 Ti2 Si14 H2 O40' _cell_volume 913.05323768 _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 K K0 1 0.09980700 0.22274400 0.34310700 1.0 K K1 1 0.90019300 0.77725600 0.65689300 1.0 K K2 1 0.35070400 0.72885900 0.44852600 1.0 K K3 1 0.64929600 0.27114100 0.55147400 1.0 Na Na4 1 0.11003800 0.61128100 0.97785400 1.0 Na Na5 1 0.88996200 0.38871900 0.02214600 1.0 Ca Ca6 1 0.40679400 0.08862900 0.87893700 1.0 Ca Ca7 1 0.59320600 0.91137100 0.12106300 1.0 Ca Ca8 1 0.42013500 0.59068900 0.87546900 1.0 Ca Ca9 1 0.57986500 0.40931100 0.12453100 1.0 Ti Ti10 1 0.10030700 0.10235000 0.98785500 1.0 Ti Ti11 1 0.89969300 0.89765000 0.01214500 1.0 Si Si12 1 0.69154700 0.12610200 0.86975600 1.0 Si Si13 1 0.30845300 0.87389800 0.13024400 1.0 Si Si14 1 0.69986000 0.57499600 0.87139400 1.0 Si Si15 1 0.30014000 0.42500400 0.12860600 1.0 Si Si16 1 0.58383700 0.80230200 0.68434300 1.0 Si Si17 1 0.41616300 0.19769800 0.31565700 1.0 Si Si18 1 0.81719400 0.00302000 0.31671900 1.0 Si Si19 1 0.18280600 0.99698000 0.68328100 1.0 Si Si20 1 0.81158500 0.43060700 0.31057800 1.0 Si Si21 1 0.18841500 0.56939300 0.68942200 1.0 Si Si22 1 0.64881800 0.73215800 0.39722700 1.0 Si Si23 1 0.35118200 0.26784200 0.60277300 1.0 Si Si24 1 0.98805100 0.71981900 0.27758800 1.0 Si Si25 1 0.01194900 0.28018100 0.72241200 1.0 H H26 1 0.83095500 0.29650300 0.73011600 1.0 H H27 1 0.16904500 0.70349700 0.26988400 1.0 O O28 1 0.65523200 0.00290200 0.72486000 1.0 O O29 1 0.34476800 0.99709800 0.27514000 1.0 O O30 1 0.80623900 0.05146300 0.92033700 1.0 O O31 1 0.19376100 0.94853700 0.07966300 1.0 O O32 1 0.59339400 0.12604700 0.96620800 1.0 O O33 1 0.40660600 0.87395300 0.03379200 1.0 O O34 1 0.71778500 0.34111700 0.83422100 1.0 O O35 1 0.28221500 0.65888300 0.16577900 1.0 O O36 1 0.81803000 0.66651700 0.91893700 1.0 O O37 1 0.18197000 0.33348300 0.08106300 1.0 O O38 1 0.60296400 0.62072400 0.96960700 1.0 O O39 1 0.39703600 0.37927600 0.03039300 1.0 O O40 1 0.66081900 0.63158000 0.72760500 1.0 O O41 1 0.33918100 0.36842000 0.27239500 1.0 O O42 1 0.46621900 0.81118500 0.74235500 1.0 O O43 1 0.53378100 0.18881500 0.25764500 1.0 O O44 1 0.57372300 0.76008300 0.52482000 1.0 O O45 1 0.42627700 0.23991700 0.47518000 1.0 O O46 1 0.72310400 0.92983900 0.40710500 1.0 O O47 1 0.27689600 0.07016100 0.59289500 1.0 O O48 1 0.93335900 0.91132000 0.35749000 1.0 O O49 1 0.06664100 0.08868000 0.64251000 1.0 O O50 1 0.78517500 0.94009200 0.16519300 1.0 O O51 1 0.21482500 0.05990800 0.83480700 1.0 O O52 1 0.82906500 0.23151300 0.36871700 1.0 O O53 1 0.17093500 0.76848700 0.63128300 1.0 O O54 1 0.75929700 0.40724500 0.16790300 1.0 O O55 1 0.24070300 0.59275500 0.83209700 1.0 O O56 1 0.93416200 0.53162800 0.32662800 1.0 O O57 1 0.06583800 0.46837200 0.67337200 1.0 O O58 1 0.73440200 0.56000500 0.41761700 1.0 O O59 1 0.26559800 0.43999500 0.58238300 1.0 O O60 1 0.57228100 0.69390900 0.26810300 1.0 O O61 1 0.42771900 0.30609100 0.73189700 1.0 O O62 1 0.11489300 0.72975400 0.33587100 1.0 O O63 1 0.88510700 0.27024600 0.66412900 1.0 O O64 1 0.97362800 0.71105300 0.12262700 1.0 O O65 1 0.02637200 0.28894700 0.87737300 1.0 O O66 1 0.98741500 0.11803200 0.09874500 1.0 O O67 1 0.01258500 0.88196800 0.90125500 1.0