# generated using pymatgen data_Sr3NbCoO7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98220517 _cell_length_b 3.98819696 _cell_length_c 42.31124814 _cell_angle_alpha 90.00285829 _cell_angle_beta 90.04288538 _cell_angle_gamma 90.07842604 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr3NbCoO7 _chemical_formula_sum 'Sr12 Nb4 Co4 O28' _cell_volume 671.97874747 _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 Sr Sr0 1 0.50215100 0.49965900 0.59503500 1.0 Sr Sr1 1 0.99821500 0.99878700 0.84714800 1.0 Sr Sr2 1 0.50105000 0.50073400 0.09587800 1.0 Sr Sr3 1 0.99890300 0.00137400 0.34602200 1.0 Sr Sr4 1 0.99527500 0.99910400 0.65923200 1.0 Sr Sr5 1 0.49584300 0.49580400 0.91077200 1.0 Sr Sr6 1 0.00280200 0.99722800 0.16000700 1.0 Sr Sr7 1 0.49573600 0.50485500 0.40941000 1.0 Sr Sr8 1 0.99174300 0.99760900 0.74111100 1.0 Sr Sr9 1 0.50387000 0.50397200 0.99085900 1.0 Sr Sr10 1 0.99864100 0.00167100 0.24047400 1.0 Sr Sr11 1 0.50342200 0.49646100 0.48949800 1.0 Nb Nb12 1 0.00147900 0.99911500 0.54829200 1.0 Nb Nb13 1 0.49718400 0.49885200 0.79912500 1.0 Nb Nb14 1 0.00155700 0.00176700 0.04774500 1.0 Nb Nb15 1 0.49897000 0.50116800 0.29836000 1.0 Co Co16 1 0.48292200 0.49567600 0.69630400 1.0 Co Co17 1 0.99994500 0.00004000 0.94939300 1.0 Co Co18 1 0.50010400 0.49990000 0.19831600 1.0 Co Co19 1 0.00014500 0.99978800 0.44792600 1.0 O O20 1 0.00009600 0.00092900 0.50323600 1.0 O O21 1 0.50109000 0.49949900 0.75351000 1.0 O O22 1 0.99904900 0.99909000 0.00182600 1.0 O O23 1 0.50007900 0.49984000 0.25263500 1.0 O O24 1 0.51826200 0.50456200 0.65137700 1.0 O O25 1 0.00130700 0.00162800 0.90259700 1.0 O O26 1 0.49756700 0.50219700 0.15108400 1.0 O O27 1 0.00233600 0.99658500 0.40099400 1.0 O O28 1 0.00208800 0.00136200 0.59838100 1.0 O O29 1 0.50035000 0.49964400 0.84836700 1.0 O O30 1 0.99990600 0.99949700 0.09662300 1.0 O O31 1 0.50013200 0.50040300 0.34749000 1.0 O O32 1 0.00480700 0.50087500 0.70184900 1.0 O O33 1 0.50123600 0.00018700 0.95210800 1.0 O O34 1 0.99914300 0.49943900 0.20162300 1.0 O O35 1 0.50181900 0.99953200 0.45175500 1.0 O O36 1 0.50085700 0.00112700 0.70160200 1.0 O O37 1 0.00010100 0.50137500 0.95209100 1.0 O O38 1 0.50057400 0.00087300 0.20160400 1.0 O O39 1 0.00031200 0.49802300 0.45172900 1.0 O O40 1 0.50089700 0.00014600 0.55140400 1.0 O O41 1 0.99954700 0.50008900 0.80139900 1.0 O O42 1 0.49997300 0.99868500 0.04979300 1.0 O O43 1 0.99948400 0.50066700 0.30074400 1.0 O O44 1 0.99994000 0.50009600 0.55137700 1.0 O O45 1 0.50097800 0.99950500 0.80140600 1.0 O O46 1 0.99876200 0.49993000 0.04976900 1.0 O O47 1 0.49935400 0.00065000 0.30071300 1.0