# generated using pymatgen data_Ca2Al2Si6SnO22 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.04093400 _cell_length_b 7.42303500 _cell_length_c 16.82057228 _cell_angle_alpha 77.05182632 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2Al2Si6SnO22 _chemical_formula_sum 'Ca4 Al4 Si12 Sn2 O44' _cell_volume 978.46030715 _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 Ca Ca0 1 0.18318200 0.99727900 0.81741700 1.0 Ca Ca1 1 0.68318200 0.00272100 0.68258300 1.0 Ca Ca2 1 0.81681800 0.00272100 0.18258300 1.0 Ca Ca3 1 0.31681800 0.99727900 0.31741700 1.0 Al Al4 1 0.49317400 0.31154800 0.78580900 1.0 Al Al5 1 0.99317400 0.68845200 0.71419100 1.0 Al Al6 1 0.50682600 0.68845200 0.21419100 1.0 Al Al7 1 0.00682600 0.31154800 0.28580900 1.0 Si Si8 1 0.33629400 0.28302300 0.96063700 1.0 Si Si9 1 0.83629400 0.71697700 0.53936300 1.0 Si Si10 1 0.66370600 0.71697700 0.03936300 1.0 Si Si11 1 0.16370600 0.28302300 0.46063700 1.0 Si Si12 1 0.35368200 0.68347200 0.66331200 1.0 Si Si13 1 0.85368200 0.31652800 0.83668800 1.0 Si Si14 1 0.64631800 0.31652800 0.33668800 1.0 Si Si15 1 0.14631800 0.68347200 0.16331200 1.0 Si Si16 1 0.29059100 0.66802100 0.99639000 1.0 Si Si17 1 0.79059100 0.33197900 0.50361000 1.0 Si Si18 1 0.70940900 0.33197900 0.00361000 1.0 Si Si19 1 0.20940900 0.66802100 0.49639000 1.0 Sn Sn20 1 0.50000000 0.00000000 0.50000000 1.0 Sn Sn21 1 0.00000000 0.00000000 0.00000000 1.0 O O22 1 0.29964000 0.15347800 0.51596700 1.0 O O23 1 0.79964000 0.84652200 0.98403300 1.0 O O24 1 0.70036000 0.84652200 0.48403300 1.0 O O25 1 0.20036000 0.15347800 0.01596700 1.0 O O26 1 0.51726300 0.25817600 0.00777200 1.0 O O27 1 0.01726300 0.74182400 0.49222800 1.0 O O28 1 0.48273700 0.74182400 0.99222800 1.0 O O29 1 0.98273700 0.25817600 0.50777200 1.0 O O30 1 0.20082300 0.76051600 0.71228100 1.0 O O31 1 0.70082300 0.23948400 0.78771900 1.0 O O32 1 0.79917700 0.23948400 0.28771900 1.0 O O33 1 0.29917700 0.76051600 0.21228100 1.0 O O34 1 0.47925300 0.85152700 0.62154500 1.0 O O35 1 0.97925300 0.14847300 0.87845500 1.0 O O36 1 0.52074700 0.14847300 0.37845500 1.0 O O37 1 0.02074700 0.85152700 0.12154500 1.0 O O38 1 0.36230600 0.23746900 0.86973700 1.0 O O39 1 0.86230600 0.76253100 0.63026300 1.0 O O40 1 0.63769400 0.76253100 0.13026300 1.0 O O41 1 0.13769400 0.23746900 0.36973700 1.0 O O42 1 0.16629100 0.83210300 0.95014100 1.0 O O43 1 0.66629100 0.16789700 0.54985900 1.0 O O44 1 0.83370900 0.16789700 0.04985900 1.0 O O45 1 0.33370900 0.83210300 0.45014100 1.0 O O46 1 0.45618700 0.52430700 0.72488500 1.0 O O47 1 0.95618700 0.47569300 0.77511500 1.0 O O48 1 0.54381300 0.47569300 0.27511500 1.0 O O49 1 0.04381300 0.52430700 0.22488500 1.0 O O50 1 0.46594500 0.95910200 0.78182500 1.0 O O51 1 0.96594500 0.04089800 0.71817500 1.0 O O52 1 0.53405500 0.04089800 0.21817500 1.0 O O53 1 0.03405500 0.95910200 0.28182500 1.0 O O54 1 0.41928500 0.12480700 0.73002400 1.0 O O55 1 0.91928500 0.87519300 0.76997600 1.0 O O56 1 0.58071500 0.87519300 0.26997600 1.0 O O57 1 0.08071500 0.12480700 0.23002400 1.0 O O58 1 0.28081800 0.50146000 0.94765500 1.0 O O59 1 0.78081800 0.49854000 0.55234500 1.0 O O60 1 0.71918200 0.49854000 0.05234500 1.0 O O61 1 0.21918200 0.50146000 0.44765500 1.0 O O62 1 0.26271500 0.59546400 0.59236100 1.0 O O63 1 0.76271600 0.40453600 0.90763900 1.0 O O64 1 0.73728500 0.40453600 0.40763900 1.0 O O65 1 0.23728500 0.59546400 0.09236100 1.0