# generated using pymatgen data_Gd7(BrO6)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55466718 _cell_length_b 17.60081186 _cell_length_c 17.60081186 _cell_angle_alpha 119.99999936 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Gd7(BrO6)3 _chemical_formula_sum 'Gd14 Br6 O36' _cell_volume 953.66310311 _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 Gd Gd0 1 0.75000000 0.52827582 0.87731148 1.0 Gd Gd1 1 0.25000000 0.47172418 0.12268852 1.0 Gd Gd2 1 0.75000000 0.34903566 0.47172418 1.0 Gd Gd3 1 0.25000000 0.65096434 0.52827582 1.0 Gd Gd4 1 0.75000000 0.12268852 0.65096434 1.0 Gd Gd5 1 0.25000000 0.87731148 0.34903566 1.0 Gd Gd6 1 0.75000000 0.91979162 0.16074753 1.0 Gd Gd7 1 0.25000000 0.08020838 0.83925247 1.0 Gd Gd8 1 0.75000000 0.24095592 0.08020838 1.0 Gd Gd9 1 0.25000000 0.75904408 0.91979162 1.0 Gd Gd10 1 0.75000000 0.83925247 0.75904408 1.0 Gd Gd11 1 0.25000000 0.16074753 0.24095592 1.0 Gd Gd12 1 0.75000000 0.66666700 0.33333300 1.0 Gd Gd13 1 0.25000000 0.33333300 0.66666700 1.0 Br Br14 1 0.75000000 0.55575157 0.60407386 1.0 Br Br15 1 0.25000000 0.44424843 0.39592614 1.0 Br Br16 1 0.75000000 0.04832229 0.44424843 1.0 Br Br17 1 0.25000000 0.95167771 0.55575157 1.0 Br Br18 1 0.75000000 0.39592614 0.95167771 1.0 Br Br19 1 0.25000000 0.60407386 0.04832229 1.0 O O20 1 0.75000000 0.82127337 0.39178228 1.0 O O21 1 0.25000000 0.17872663 0.60821772 1.0 O O22 1 0.75000000 0.57050891 0.17872663 1.0 O O23 1 0.25000000 0.42949109 0.82127337 1.0 O O24 1 0.75000000 0.60821772 0.42949109 1.0 O O25 1 0.25000000 0.39178228 0.57050891 1.0 O O26 1 0.75000000 0.67636665 0.93894532 1.0 O O27 1 0.25000000 0.32363335 0.06105468 1.0 O O28 1 0.75000000 0.26257867 0.32363335 1.0 O O29 1 0.25000000 0.73742133 0.67636665 1.0 O O30 1 0.75000000 0.06105468 0.73742133 1.0 O O31 1 0.25000000 0.93894532 0.26257867 1.0 O O32 1 0.75000000 0.86086802 0.01000806 1.0 O O33 1 0.25000000 0.13913198 0.98999194 1.0 O O34 1 0.75000000 0.14914003 0.13913198 1.0 O O35 1 0.25000000 0.85085997 0.86086802 1.0 O O36 1 0.75000000 0.98999194 0.85085997 1.0 O O37 1 0.25000000 0.01000806 0.14914003 1.0 O O38 1 0.75000000 0.84761741 0.24394056 1.0 O O39 1 0.25000000 0.15238259 0.75605944 1.0 O O40 1 0.75000000 0.39632315 0.15238259 1.0 O O41 1 0.25000000 0.60367685 0.84761741 1.0 O O42 1 0.75000000 0.75605944 0.60367685 1.0 O O43 1 0.25000000 0.24394056 0.39632315 1.0 O O44 1 0.75000000 0.75100062 0.82109598 1.0 O O45 1 0.25000000 0.24899938 0.17890402 1.0 O O46 1 0.75000000 0.07009535 0.24899938 1.0 O O47 1 0.25000000 0.92990465 0.75100062 1.0 O O48 1 0.75000000 0.17890402 0.92990465 1.0 O O49 1 0.25000000 0.82109598 0.07009535 1.0 O O50 1 0.75000000 0.44152313 0.73063379 1.0 O O51 1 0.25000000 0.55847687 0.26936621 1.0 O O52 1 0.75000000 0.28911067 0.55847687 1.0 O O53 1 0.25000000 0.71088933 0.44152313 1.0 O O54 1 0.75000000 0.26936621 0.71088933 1.0 O O55 1 0.25000000 0.73063379 0.28911067 1.0