# generated using pymatgen data_Ba(WO3)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.74125653 _cell_length_b 10.74125653 _cell_length_c 8.85846241 _cell_angle_alpha 89.98417348 _cell_angle_beta 89.98417348 _cell_angle_gamma 41.68815508 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba(WO3)6 _chemical_formula_sum 'Ba2 W12 O36' _cell_volume 679.73521884 _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 Ba Ba0 1 0.87335753 0.87335753 0.08610787 1.0 Ba Ba1 1 0.12664247 0.12664247 0.91389213 1.0 W W2 1 0.46898305 0.96863904 0.20669012 1.0 W W3 1 0.28517210 0.77889165 0.20513825 1.0 W W4 1 0.96863904 0.46898305 0.20669012 1.0 W W5 1 0.77889165 0.28517210 0.20513825 1.0 W W6 1 0.12699647 0.62388249 0.43445005 1.0 W W7 1 0.62388249 0.12699647 0.43445005 1.0 W W8 1 0.87300353 0.37611751 0.56554995 1.0 W W9 1 0.37611751 0.87300353 0.56554995 1.0 W W10 1 0.22110835 0.71482790 0.79486175 1.0 W W11 1 0.53101695 0.03136096 0.79330988 1.0 W W12 1 0.03136096 0.53101695 0.79330988 1.0 W W13 1 0.71482790 0.22110835 0.79486175 1.0 O O14 1 0.38303710 0.86749531 0.14588361 1.0 O O15 1 0.86749531 0.38303710 0.14588361 1.0 O O16 1 0.21272962 0.21272962 0.19616662 1.0 O O17 1 0.72435143 0.72435143 0.20371495 1.0 O O18 1 0.53124275 0.53124275 0.21661548 1.0 O O19 1 0.03355857 0.03355857 0.18089692 1.0 O O20 1 0.18324298 0.70180268 0.27719633 1.0 O O21 1 0.70180268 0.18324298 0.27719633 1.0 O O22 1 0.54736633 0.06906441 0.27723802 1.0 O O23 1 0.06906441 0.54736633 0.27723802 1.0 O O24 1 0.29676106 0.82506834 0.40875506 1.0 O O25 1 0.87033659 0.87033659 0.41980626 1.0 O O26 1 0.38020633 0.38020633 0.43614747 1.0 O O27 1 0.44204024 0.93677709 0.40962857 1.0 O O28 1 0.93677709 0.44204024 0.40962857 1.0 O O29 1 0.82506834 0.29676106 0.40875506 1.0 O O30 1 0.61979367 0.61979367 0.56385253 1.0 O O31 1 0.12966341 0.12966341 0.58019374 1.0 O O32 1 0.70323894 0.17493166 0.59124494 1.0 O O33 1 0.55795976 0.06322291 0.59037143 1.0 O O34 1 0.17493166 0.70323894 0.59124494 1.0 O O35 1 0.06322291 0.55795976 0.59037143 1.0 O O36 1 0.45263367 0.93093559 0.72276198 1.0 O O37 1 0.29819732 0.81675702 0.72280367 1.0 O O38 1 0.93093559 0.45263367 0.72276198 1.0 O O39 1 0.81675702 0.29819732 0.72280367 1.0 O O40 1 0.27564857 0.27564857 0.79628505 1.0 O O41 1 0.96644143 0.96644143 0.81910308 1.0 O O42 1 0.46875725 0.46875725 0.78338452 1.0 O O43 1 0.78727038 0.78727038 0.80383338 1.0 O O44 1 0.13250469 0.61696290 0.85411639 1.0 O O45 1 0.61696290 0.13250469 0.85411639 1.0 O O46 1 0.50000000 0.00000000 -0.00000000 1.0 O O47 1 0.73772227 0.26227773 -0.00000000 1.0 O O48 1 -0.00000000 0.50000000 -0.00000000 1.0 O O49 1 0.26227773 0.73772227 -0.00000000 1.0