# generated using pymatgen data_Ba2La6Mg4Ti3WO24 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91351567 _cell_length_b 5.91351567 _cell_length_c 38.62186535 _cell_angle_alpha 83.77299819 _cell_angle_beta 83.77299819 _cell_angle_gamma 56.61351246 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2La6Mg4Ti3WO24 _chemical_formula_sum 'Ba4 La12 Mg8 Ti6 W2 O48' _cell_volume 1119.12456501 _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 0.15781200 0.15781200 0.96905400 1.0 Ba Ba1 1 0.50949700 0.50949700 0.09332800 1.0 Ba Ba2 1 0.84218800 0.84218800 0.03094600 1.0 Ba Ba3 1 0.49050300 0.49050300 0.90667200 1.0 La La4 1 0.36754400 0.36754400 0.21755600 1.0 La La5 1 0.57413800 0.57413800 0.34840200 1.0 La La6 1 0.87861300 0.87861300 0.14101100 1.0 La La7 1 0.72650200 0.72650200 0.46198600 1.0 La La8 1 0.99396400 0.99396400 0.29242500 1.0 La La9 1 0.84774800 0.84774800 0.58591000 1.0 La La10 1 0.15225200 0.15225200 0.41409000 1.0 La La11 1 0.00603600 0.00603600 0.70757500 1.0 La La12 1 0.27349800 0.27349800 0.53801400 1.0 La La13 1 0.12138700 0.12138700 0.85898900 1.0 La La14 1 0.42586200 0.42586200 0.65159800 1.0 La La15 1 0.63245600 0.63245600 0.78244400 1.0 Mg Mg16 1 0.68496500 0.68496500 0.26031400 1.0 Mg Mg17 1 0.63328900 0.63328900 0.18717900 1.0 Mg Mg18 1 0.50000000 0.50000000 0.00000000 1.0 Mg Mg19 1 0.88749500 0.88749500 0.37750200 1.0 Mg Mg20 1 0.31503500 0.31503500 0.73968600 1.0 Mg Mg21 1 0.00000000 0.00000000 0.50000000 1.0 Mg Mg22 1 0.36671100 0.36671100 0.81282100 1.0 Mg Mg23 1 0.11250500 0.11250500 0.62249800 1.0 Ti Ti24 1 0.09726800 0.09726800 0.19530200 1.0 Ti Ti25 1 0.29696300 0.29696300 0.31379500 1.0 Ti Ti26 1 0.43500300 0.43500300 0.44174800 1.0 Ti Ti27 1 0.56499700 0.56499700 0.55825200 1.0 Ti Ti28 1 0.70303700 0.70303700 0.68620500 1.0 Ti Ti29 1 0.90273200 0.90273200 0.80469800 1.0 W W30 1 0.82276800 0.82276800 0.93735300 1.0 W W31 1 0.17723200 0.17723200 0.06264700 1.0 O O32 1 0.66891400 0.15010300 0.96557500 1.0 O O33 1 0.33188900 0.33188900 0.03055700 1.0 O O34 1 0.15010300 0.66891400 0.96557500 1.0 O O35 1 0.84989700 0.33108600 0.03442500 1.0 O O36 1 0.99360900 0.48654000 0.08993200 1.0 O O37 1 0.66811100 0.66811100 0.96944300 1.0 O O38 1 0.26800500 0.26800500 0.16609300 1.0 O O39 1 0.33108600 0.84989700 0.03442500 1.0 O O40 1 0.48654000 0.99360900 0.08993200 1.0 O O41 1 0.77087400 0.27153400 0.16826400 1.0 O O42 1 0.92435000 0.44710800 0.22050300 1.0 O O43 1 0.00495900 0.00495900 0.09420900 1.0 O O44 1 0.42925500 0.42925500 0.27656700 1.0 O O45 1 0.27153400 0.77087400 0.16826400 1.0 O O46 1 0.44710800 0.92435000 0.22050300 1.0 O O47 1 0.93178500 0.42409000 0.29713000 1.0 O O48 1 0.13273900 0.61876500 0.33901500 1.0 O O49 1 0.95230700 0.95230700 0.23228700 1.0 O O50 1 0.61005100 0.61005100 0.40398000 1.0 O O51 1 0.42409000 0.93178500 0.29713000 1.0 O O52 1 0.61876500 0.13273900 0.33901500 1.0 O O53 1 0.10611500 0.59812600 0.41591000 1.0 O O54 1 0.28860100 0.78979600 0.46246100 1.0 O O55 1 0.08743000 0.08743000 0.36056400 1.0 O O56 1 0.71340200 0.71340200 0.52367200 1.0 O O57 1 0.59812600 0.10611500 0.41591000 1.0 O O58 1 0.78979600 0.28860100 0.46246100 1.0 O O59 1 0.21020400 0.71139900 0.53753900 1.0 O O60 1 0.40187400 0.89388500 0.58409000 1.0 O O61 1 0.28659800 0.28659800 0.47632800 1.0 O O62 1 0.91257000 0.91257000 0.63943600 1.0 O O63 1 0.71139900 0.21020400 0.53753900 1.0 O O64 1 0.89388500 0.40187400 0.58409000 1.0 O O65 1 0.38123500 0.86726100 0.66098500 1.0 O O66 1 0.57591000 0.06821500 0.70287000 1.0 O O67 1 0.38994900 0.38994900 0.59602000 1.0 O O68 1 0.04769300 0.04769300 0.76771300 1.0 O O69 1 0.86726100 0.38123500 0.66098500 1.0 O O70 1 0.06821500 0.57591000 0.70287000 1.0 O O71 1 0.55289200 0.07565000 0.77949700 1.0 O O72 1 0.72846600 0.22912600 0.83173600 1.0 O O73 1 0.57074500 0.57074500 0.72343300 1.0 O O74 1 0.99504100 0.99504100 0.90579100 1.0 O O75 1 0.07565000 0.55289200 0.77949700 1.0 O O76 1 0.22912600 0.72846600 0.83173600 1.0 O O77 1 0.51346000 0.00639100 0.91006800 1.0 O O78 1 0.73199500 0.73199500 0.83390700 1.0 O O79 1 0.00639100 0.51346000 0.91006800 1.0