# generated using pymatgen data_Na2CaZr2Si10O27 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.30524518 _cell_length_b 9.30524518 _cell_length_c 19.07286783 _cell_angle_alpha 82.04547477 _cell_angle_beta 82.04547477 _cell_angle_gamma 112.89059409 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2CaZr2Si10O27 _chemical_formula_sum 'Na4 Ca2 Zr4 Si20 O54' _cell_volume 1472.96247952 _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 Na Na0 1 0.96933100 0.94178200 0.39645300 1.0 Na Na1 1 0.94178200 0.96933100 0.89645300 1.0 Na Na2 1 0.06718300 0.04677000 0.09256400 1.0 Na Na3 1 0.04677000 0.06718300 0.59256400 1.0 Ca Ca4 1 0.37097900 0.62305700 0.50347000 1.0 Ca Ca5 1 0.62305700 0.37097900 0.00347000 1.0 Zr Zr6 1 0.97188100 0.49815400 0.49802800 1.0 Zr Zr7 1 0.49815400 0.97188100 0.99802800 1.0 Zr Zr8 1 0.49574900 0.02417100 0.50627900 1.0 Zr Zr9 1 0.02417100 0.49574900 0.00627900 1.0 Si Si10 1 0.15390000 0.76017800 0.11466400 1.0 Si Si11 1 0.76017800 0.15390000 0.61466400 1.0 Si Si12 1 0.75130200 0.14153400 0.11344600 1.0 Si Si13 1 0.14153400 0.75130200 0.61344600 1.0 Si Si14 1 0.84406000 0.23441800 0.38821200 1.0 Si Si15 1 0.23441800 0.84406000 0.88821200 1.0 Si Si16 1 0.24745100 0.85149300 0.39062600 1.0 Si Si17 1 0.85149300 0.24745100 0.89062600 1.0 Si Si18 1 0.28461200 0.70050000 0.25403900 1.0 Si Si19 1 0.70050000 0.28461200 0.75403900 1.0 Si Si20 1 0.71031600 0.29386200 0.24980600 1.0 Si Si21 1 0.29386200 0.71031600 0.74980600 1.0 Si Si22 1 0.18664300 0.39578200 0.37051100 1.0 Si Si23 1 0.39578200 0.18664300 0.87051100 1.0 Si Si24 1 0.39909900 0.20762100 0.36680400 1.0 Si Si25 1 0.20762100 0.39909900 0.86680400 1.0 Si Si26 1 0.80813500 0.59907200 0.13306200 1.0 Si Si27 1 0.59907200 0.80813500 0.63306200 1.0 Si Si28 1 0.59558300 0.78793100 0.13795900 1.0 Si Si29 1 0.78793100 0.59558300 0.63795900 1.0 O O30 1 0.33715200 0.34832100 0.35958500 1.0 O O31 1 0.34832100 0.33715200 0.85958500 1.0 O O32 1 0.65863900 0.64815000 0.14092300 1.0 O O33 1 0.64815000 0.65863900 0.64092300 1.0 O O34 1 0.18635000 0.47921900 0.44033600 1.0 O O35 1 0.47921900 0.18635000 0.94033600 1.0 O O36 1 0.02374100 0.22706700 0.38051000 1.0 O O37 1 0.22706700 0.02374100 0.88051000 1.0 O O38 1 0.19951300 0.51327100 0.29583500 1.0 O O39 1 0.51327100 0.19951300 0.79583500 1.0 O O40 1 0.46629500 0.19709000 0.44017000 1.0 O O41 1 0.19709000 0.46629500 0.94017000 1.0 O O42 1 0.24706500 0.03333800 0.37187000 1.0 O O43 1 0.03333800 0.24706500 0.87187000 1.0 O O44 1 0.52926800 0.24537400 0.29309600 1.0 O O45 1 0.24537400 0.52926800 0.79309600 1.0 O O46 1 0.78996200 0.48091100 0.20852100 1.0 O O47 1 0.48091100 0.78996200 0.70852100 1.0 O O48 1 0.81120800 0.51455800 0.06381300 1.0 O O49 1 0.51455800 0.81120800 0.56381300 1.0 O O50 1 0.97311200 0.76415800 0.12339000 1.0 O O51 1 0.76415800 0.97311200 0.62339000 1.0 O O52 1 0.46608600 0.74512800 0.21275800 1.0 O O53 1 0.74512800 0.46608600 0.71275800 1.0 O O54 1 0.52054600 0.79914600 0.06686000 1.0 O O55 1 0.79914600 0.52054600 0.56686000 1.0 O O56 1 0.74951000 0.95986000 0.13269500 1.0 O O57 1 0.95986000 0.74951000 0.63269500 1.0 O O58 1 0.81834700 0.26520800 0.30545400 1.0 O O59 1 0.26520800 0.81834700 0.80545400 1.0 O O60 1 0.29560500 0.81425100 0.31191800 1.0 O O61 1 0.81425100 0.29560500 0.81191800 1.0 O O62 1 0.17971800 0.73163400 0.19755200 1.0 O O63 1 0.73163400 0.17971800 0.69755200 1.0 O O64 1 0.70183300 0.18178800 0.19137800 1.0 O O65 1 0.18178800 0.70183300 0.69137800 1.0 O O66 1 0.14576200 0.61291000 0.07635100 1.0 O O67 1 0.61291000 0.14576200 0.57635100 1.0 O O68 1 0.61564200 0.13808400 0.06627600 1.0 O O69 1 0.13808400 0.61564200 0.56627600 1.0 O O70 1 0.93497800 0.25973300 0.07224800 1.0 O O71 1 0.25973300 0.93497800 0.57224800 1.0 O O72 1 0.27735400 0.93669000 0.06783100 1.0 O O73 1 0.93669000 0.27735400 0.56783100 1.0 O O74 1 0.06309000 0.73344000 0.43096600 1.0 O O75 1 0.73344000 0.06309000 0.93096600 1.0 O O76 1 0.71394500 0.06280900 0.43582900 1.0 O O77 1 0.06280900 0.71394500 0.93582900 1.0 O O78 1 0.85781100 0.38443500 0.42557600 1.0 O O79 1 0.38443500 0.85781100 0.92557600 1.0 O O80 1 0.38009800 0.85469300 0.43879100 1.0 O O81 1 0.85469300 0.38009800 0.93879100 1.0 O O82 1 0.54986100 0.49969300 0.48454600 1.0 O O83 1 0.49969300 0.54986100 0.98454600 1.0