# generated using pymatgen data_Ba(SnSe)32 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.47990640 _cell_length_b 12.47990640 _cell_length_c 11.96649582 _cell_angle_alpha 89.69079458 _cell_angle_beta 89.69079458 _cell_angle_gamma 85.62630925 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba(SnSe)32 _chemical_formula_sum 'Ba1 Sn32 Se32' _cell_volume 1858.28076878 _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 Ba Ba0 1 0.56440500 0.56440500 0.42050300 1.0 Sn Sn1 1 0.08933800 0.33228800 0.12820300 1.0 Sn Sn2 1 0.33228800 0.08933800 0.12820300 1.0 Sn Sn3 1 0.08986600 0.83774900 0.13366300 1.0 Sn Sn4 1 0.33198700 0.58973500 0.12576800 1.0 Sn Sn5 1 0.58973500 0.33198700 0.12576800 1.0 Sn Sn6 1 0.83774900 0.08986600 0.13366300 1.0 Sn Sn7 1 0.55009900 0.86369900 0.07080400 1.0 Sn Sn8 1 0.86369900 0.55009900 0.07080400 1.0 Sn Sn9 1 0.08825000 0.08825000 0.38631300 1.0 Sn Sn10 1 0.07332100 0.58629400 0.38494700 1.0 Sn Sn11 1 0.33424000 0.33424000 0.38006100 1.0 Sn Sn12 1 0.58629400 0.07332100 0.38494700 1.0 Sn Sn13 1 0.35324200 0.84060200 0.38640600 1.0 Sn Sn14 1 0.70635600 0.70635600 0.18875700 1.0 Sn Sn15 1 0.84060200 0.35324200 0.38640600 1.0 Sn Sn16 1 0.85511100 0.85511100 0.38973000 1.0 Sn Sn17 1 0.15013400 0.90732700 0.62458500 1.0 Sn Sn18 1 0.16052400 0.40724700 0.62518700 1.0 Sn Sn19 1 0.40724700 0.16052400 0.62518700 1.0 Sn Sn20 1 0.65025200 0.89770300 0.61766100 1.0 Sn Sn21 1 0.39054600 0.66737700 0.64058600 1.0 Sn Sn22 1 0.66737700 0.39054600 0.64058600 1.0 Sn Sn23 1 0.90732700 0.15013400 0.62458500 1.0 Sn Sn24 1 0.89770300 0.65025200 0.61766100 1.0 Sn Sn25 1 0.15240700 0.15240700 0.88504900 1.0 Sn Sn26 1 0.39131700 0.91908200 0.87280700 1.0 Sn Sn27 1 0.15064400 0.65591500 0.88986200 1.0 Sn Sn28 1 0.40674600 0.40674600 0.88108400 1.0 Sn Sn29 1 0.65591500 0.15064400 0.88986200 1.0 Sn Sn30 1 0.90438300 0.90438300 0.88249000 1.0 Sn Sn31 1 0.65150400 0.65150400 0.88151100 1.0 Sn Sn32 1 0.91908200 0.39131700 0.87280700 1.0 Se Se33 1 0.06696800 0.06696800 0.15654700 1.0 Se Se34 1 0.06594000 0.56050800 0.15180400 1.0 Se Se35 1 0.31436100 0.31436100 0.14911600 1.0 Se Se36 1 0.56050800 0.06594000 0.15180400 1.0 Se Se37 1 0.33571000 0.81497600 0.15696400 1.0 Se Se38 1 0.55108100 0.55108100 0.14071500 1.0 Se Se39 1 0.81497600 0.33571000 0.15696400 1.0 Se Se40 1 0.85653900 0.85653800 0.14664000 1.0 Se Se41 1 0.06700000 0.31566700 0.35930000 1.0 Se Se42 1 0.31566700 0.06700000 0.35930000 1.0 Se Se43 1 0.07868800 0.81530300 0.36667500 1.0 Se Se44 1 0.30758700 0.56036500 0.35541300 1.0 Se Se45 1 0.56036500 0.30758700 0.35541300 1.0 Se Se46 1 0.81530300 0.07868800 0.36667500 1.0 Se Se47 1 0.57873600 0.82513800 0.37409100 1.0 Se Se48 1 0.82513800 0.57873600 0.37409100 1.0 Se Se49 1 0.18125000 0.18125000 0.65385900 1.0 Se Se50 1 0.42681900 0.93062300 0.64395100 1.0 Se Se51 1 0.17106100 0.68108300 0.65719100 1.0 Se Se52 1 0.43300000 0.43300000 0.64987500 1.0 Se Se53 1 0.68108300 0.17106100 0.65719100 1.0 Se Se54 1 0.92633900 0.92633900 0.64334800 1.0 Se Se55 1 0.67321500 0.67321500 0.65214200 1.0 Se Se56 1 0.93062300 0.42681900 0.64395100 1.0 Se Se57 1 0.16487400 0.92772300 0.85980100 1.0 Se Se58 1 0.17921600 0.43018400 0.85694000 1.0 Se Se59 1 0.43018400 0.17921600 0.85694000 1.0 Se Se60 1 0.67677300 0.92457500 0.86076200 1.0 Se Se61 1 0.42313300 0.68588500 0.86274300 1.0 Se Se62 1 0.68588500 0.42313300 0.86274300 1.0 Se Se63 1 0.92772300 0.16487400 0.85980100 1.0 Se Se64 1 0.92457500 0.67677300 0.86076200 1.0