# generated using pymatgen data_Be3Cu2(SiO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.55885581 _cell_length_b 8.01232181 _cell_length_c 13.77721815 _cell_angle_alpha 90.03142734 _cell_angle_beta 89.96022893 _cell_angle_gamma 90.03494846 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be3Cu2(SiO4)3 _chemical_formula_sum 'Be12 Cu8 Si12 O48' _cell_volume 834.40275541 _cell_formula_units_Z 4 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 Be Be0 1 0.84791400 0.92264500 0.76671000 1.0 Be Be1 1 0.65095400 0.93120800 0.40263800 1.0 Be Be2 1 0.15087800 0.56880800 0.09766900 1.0 Be Be3 1 0.34836900 0.06917700 0.59752800 1.0 Be Be4 1 0.84906100 0.43078700 0.90261300 1.0 Be Be5 1 0.14654200 0.61401600 0.41641300 1.0 Be Be6 1 0.64735900 0.88587600 0.08321500 1.0 Be Be7 1 0.85313000 0.38610100 0.58356100 1.0 Be Be8 1 0.35265500 0.11469200 0.91655800 1.0 Be Be9 1 0.65160800 0.42358400 0.26687800 1.0 Be Be10 1 0.15209700 0.07676500 0.23306800 1.0 Be Be11 1 0.34835000 0.57668400 0.73319200 1.0 Cu Cu12 1 0.45760200 0.24180800 0.09177000 1.0 Cu Cu13 1 0.04341800 0.74268900 0.59129700 1.0 Cu Cu14 1 0.54151300 0.75892300 0.90822500 1.0 Cu Cu15 1 0.95676200 0.25766600 0.40855800 1.0 Cu Cu16 1 0.56047300 0.24755900 0.42819700 1.0 Cu Cu17 1 0.06080000 0.25236100 0.07162600 1.0 Cu Cu18 1 0.43933900 0.75270100 0.57205900 1.0 Cu Cu19 1 0.93903100 0.74683400 0.92799100 1.0 Si Si20 1 0.22473300 0.92499300 0.76828100 1.0 Si Si21 1 0.72491800 0.57540600 0.73151000 1.0 Si Si22 1 0.77538600 0.07558300 0.23146400 1.0 Si Si23 1 0.27531800 0.42452800 0.26866200 1.0 Si Si24 1 0.73635700 0.11286500 0.92378400 1.0 Si Si25 1 0.23572000 0.38652700 0.57611700 1.0 Si Si26 1 0.26342100 0.88668000 0.07606800 1.0 Si Si27 1 0.76379200 0.61373900 0.42404100 1.0 Si Si28 1 0.23454800 0.44670500 0.90225900 1.0 Si Si29 1 0.73404500 0.05305100 0.59814200 1.0 Si Si30 1 0.76634600 0.55297400 0.09765800 1.0 Si Si31 1 0.26609300 0.94672400 0.40187200 1.0 O O32 1 0.11772200 0.74680900 0.04123900 1.0 O O33 1 0.03444300 0.90174300 0.82473800 1.0 O O34 1 0.53457700 0.59759300 0.67514500 1.0 O O35 1 0.96583600 0.09782900 0.17516700 1.0 O O36 1 0.46560400 0.40274000 0.32496800 1.0 O O37 1 0.54059000 0.18159100 0.96049500 1.0 O O38 1 0.04009300 0.31776000 0.53970000 1.0 O O39 1 0.45923500 0.81722000 0.03957900 1.0 O O40 1 0.95952600 0.68238200 0.46024700 1.0 O O41 1 0.03565900 0.52850800 0.88436100 1.0 O O42 1 0.53481200 0.97189400 0.61543800 1.0 O O43 1 0.96484600 0.47114200 0.11592400 1.0 O O44 1 0.12338900 0.07591000 0.35156000 1.0 O O45 1 0.62279500 0.42461000 0.14828800 1.0 O O46 1 0.87632700 0.92373900 0.64821200 1.0 O O47 1 0.37735500 0.57583400 0.85195000 1.0 O O48 1 0.61835100 0.75338900 0.45933200 1.0 O O49 1 0.46500500 0.02836700 0.38446400 1.0 O O50 1 0.38099700 0.24692900 0.54073400 1.0 O O51 1 0.88165300 0.25278400 0.95900800 1.0 O O52 1 0.75547700 0.07250700 0.47667300 1.0 O O53 1 0.62071700 0.05865000 0.14738900 1.0 O O54 1 0.87931300 0.55892400 0.64712200 1.0 O O55 1 0.37910700 0.94152000 0.85253500 1.0 O O56 1 0.73307500 0.42414400 0.80816700 1.0 O O57 1 0.23323100 0.07597900 0.69184900 1.0 O O58 1 0.26723800 0.57574500 0.19192800 1.0 O O59 1 0.76769700 0.92452600 0.30840500 1.0 O O60 1 0.73961000 0.07180600 0.80948100 1.0 O O61 1 0.23916200 0.42821400 0.69019200 1.0 O O62 1 0.26053900 0.92771500 0.19024400 1.0 O O63 1 0.76078800 0.57221800 0.30985500 1.0 O O64 1 0.24991800 0.25774300 0.86447200 1.0 O O65 1 0.74716600 0.24355300 0.63514700 1.0 O O66 1 0.75135200 0.74276100 0.13538300 1.0 O O67 1 0.25246200 0.75635000 0.36466900 1.0 O O68 1 0.74025200 0.74690000 0.80202100 1.0 O O69 1 0.24120400 0.75279600 0.69797000 1.0 O O70 1 0.26033300 0.25277200 0.19818200 1.0 O O71 1 0.75934200 0.24736300 0.30190400 1.0 O O72 1 0.76133300 0.92514300 0.97773400 1.0 O O73 1 0.26096400 0.57483000 0.52230200 1.0 O O74 1 0.23788900 0.07428000 0.02198100 1.0 O O75 1 0.73829300 0.42557600 0.47783000 1.0 O O76 1 0.74592400 0.57213300 0.97640500 1.0 O O77 1 0.24461300 0.92748100 0.52324300 1.0 O O78 1 0.25493700 0.42810300 0.02373800 1.0 O O79 1 0.12071700 0.44083100 0.35300200 1.0