# generated using pymatgen data_Ba2La2Mg2TiWO12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.68911500 _cell_length_b 5.68927733 _cell_length_c 27.86159912 _cell_angle_alpha 90.00466563 _cell_angle_beta 89.99974089 _cell_angle_gamma 119.99902708 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2La2Mg2TiWO12 _chemical_formula_sum 'Ba6 La6 Mg6 Ti3 W3 O36' _cell_volume 780.98509194 _cell_formula_units_Z 3 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 0.33283200 0.66619700 0.21517500 1.0 Ba Ba1 1 0.66667400 0.33334600 0.04323700 1.0 Ba Ba2 1 0.99994800 0.99996000 0.87204700 1.0 Ba Ba3 1 0.00005200 0.00004000 0.12795300 1.0 Ba Ba4 1 0.33332600 0.66665400 0.95676300 1.0 Ba Ba5 1 0.66716800 0.33380300 0.78482500 1.0 La La6 1 0.33467600 0.66800700 0.69654900 1.0 La La7 1 0.66705900 0.33343700 0.53932900 1.0 La La8 1 0.99762600 0.99772100 0.37610800 1.0 La La9 1 0.00237400 0.00227900 0.62389200 1.0 La La10 1 0.33294100 0.66656300 0.46067100 1.0 La La11 1 0.66532400 0.33199300 0.30345100 1.0 Mg Mg12 1 0.99936600 0.99938400 0.25522300 1.0 Mg Mg13 1 0.33342600 0.66676500 0.08587500 1.0 Mg Mg14 1 0.00063400 0.00061600 0.74477700 1.0 Mg Mg15 1 0.66657400 0.33323500 0.91412500 1.0 Mg Mg16 1 0.66597300 0.33270200 0.41986700 1.0 Mg Mg17 1 0.33402700 0.66729800 0.58013300 1.0 Ti Ti18 1 0.66824700 0.33495500 0.66271800 1.0 Ti Ti19 1 0.00000000 0.00000000 0.50000000 1.0 Ti Ti20 1 0.33175300 0.66504500 0.33728200 1.0 W W21 1 0.66658800 0.33325200 0.17154500 1.0 W W22 1 0.00000000 0.00000000 0.00000000 1.0 W W23 1 0.33341200 0.66674800 0.82845500 1.0 O O24 1 0.98775700 0.49401300 0.13078000 1.0 O O25 1 0.82482200 0.65005000 0.21279300 1.0 O O26 1 0.82487900 0.17425500 0.21269500 1.0 O O27 1 0.50640500 0.49404200 0.13073600 1.0 O O28 1 0.50633700 0.01249000 0.13068400 1.0 O O29 1 0.34884200 0.17419300 0.21262800 1.0 O O30 1 0.32094300 0.16041700 0.95928200 1.0 O O31 1 0.16045400 0.32094200 0.04074000 1.0 O O32 1 0.16039800 0.83955000 0.04074000 1.0 O O33 1 0.83960200 0.16045000 0.95926000 1.0 O O34 1 0.83954600 0.67905800 0.95926000 1.0 O O35 1 0.67905700 0.83958300 0.04071800 1.0 O O36 1 0.65115800 0.82580700 0.78737200 1.0 O O37 1 0.49366300 0.98751000 0.86931600 1.0 O O38 1 0.49359500 0.50595800 0.86926400 1.0 O O39 1 0.17512100 0.82574500 0.78730500 1.0 O O40 1 0.17517800 0.34995000 0.78720700 1.0 O O41 1 0.01224300 0.50598700 0.86922000 1.0 O O42 1 0.99785600 0.49982300 0.62268900 1.0 O O43 1 0.83555300 0.66991500 0.70010600 1.0 O O44 1 0.83604500 0.16645200 0.69989900 1.0 O O45 1 0.50317400 0.49963400 0.62260500 1.0 O O46 1 0.50321200 0.00562200 0.62240400 1.0 O O47 1 0.33099500 0.16619100 0.69980100 1.0 O O48 1 0.16407700 0.32834200 0.53942300 1.0 O O49 1 0.32857800 0.16426600 0.46079800 1.0 O O50 1 0.16416400 0.83557000 0.53927700 1.0 O O51 1 0.83583600 0.16443000 0.46072300 1.0 O O52 1 0.83592300 0.67165800 0.46057700 1.0 O O53 1 0.67142200 0.83573400 0.53920200 1.0 O O54 1 0.49678800 0.99437800 0.37759600 1.0 O O55 1 0.66900500 0.83380900 0.30019900 1.0 O O56 1 0.49682600 0.50036600 0.37739500 1.0 O O57 1 0.16395500 0.83354800 0.30010100 1.0 O O58 1 0.16444700 0.33008500 0.29989400 1.0 O O59 1 0.00214400 0.50017700 0.37731100 1.0