# generated using pymatgen data_Nd2Ta6O19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.46310378 _cell_length_b 6.46310378 _cell_length_c 20.57772800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999777 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2Ta6O19 _chemical_formula_sum 'Nd4 Ta12 O38' _cell_volume 744.40678559 _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 Nd Nd0 1 0.66666700 0.33333300 0.00000000 1.0 Nd Nd1 1 0.33333300 0.66666700 0.00000000 1.0 Nd Nd2 1 0.33333300 0.66666700 0.50000000 1.0 Nd Nd3 1 0.66666700 0.33333300 0.50000000 1.0 Ta Ta4 1 0.65471000 0.65471000 0.84329200 1.0 Ta Ta5 1 0.34529000 0.34529000 0.15670800 1.0 Ta Ta6 1 0.00000000 0.34529000 0.84329200 1.0 Ta Ta7 1 0.34529000 0.34529000 0.34329200 1.0 Ta Ta8 1 0.00000000 0.34529000 0.65670800 1.0 Ta Ta9 1 0.00000000 0.65471000 0.15670800 1.0 Ta Ta10 1 0.65471000 0.65471000 0.65670800 1.0 Ta Ta11 1 0.00000000 0.65471000 0.34329200 1.0 Ta Ta12 1 0.34529000 0.00000000 0.84329200 1.0 Ta Ta13 1 0.65471000 0.00000000 0.15670800 1.0 Ta Ta14 1 0.65471000 0.00000000 0.34329200 1.0 Ta Ta15 1 0.34529000 0.00000000 0.65670800 1.0 O O16 1 0.59786000 0.59786000 0.75000000 1.0 O O17 1 0.40214000 0.40214000 0.25000000 1.0 O O18 1 0.00000000 0.40214000 0.75000000 1.0 O O19 1 0.00000000 0.59786000 0.25000000 1.0 O O20 1 0.40214000 0.00000000 0.75000000 1.0 O O21 1 0.59786000 0.00000000 0.25000000 1.0 O O22 1 0.66666700 0.33333300 0.84311700 1.0 O O23 1 0.33333300 0.66666700 0.15688300 1.0 O O24 1 0.33333300 0.66666700 0.34311700 1.0 O O25 1 0.33333300 0.66666700 0.65688300 1.0 O O26 1 0.66666700 0.33333300 0.65688300 1.0 O O27 1 0.66666700 0.33333300 0.34311700 1.0 O O28 1 0.66666700 0.33333300 0.15688300 1.0 O O29 1 0.33333300 0.66666700 0.84311700 1.0 O O30 1 0.76782400 0.76782400 0.34317900 1.0 O O31 1 0.23217600 0.23217600 0.65682100 1.0 O O32 1 0.00000000 0.23217600 0.34317900 1.0 O O33 1 0.23217600 0.23217600 0.84317900 1.0 O O34 1 0.00000000 0.23217600 0.15682100 1.0 O O35 1 0.00000000 0.76782400 0.65682100 1.0 O O36 1 0.76782400 0.76782400 0.15682100 1.0 O O37 1 0.00000000 0.76782400 0.84317900 1.0 O O38 1 0.23217600 0.00000000 0.34317900 1.0 O O39 1 0.76782400 0.00000000 0.65682100 1.0 O O40 1 0.76782400 0.00000000 0.84317900 1.0 O O41 1 0.23217600 0.00000000 0.15682100 1.0 O O42 1 0.59567300 0.59567300 0.93580900 1.0 O O43 1 0.40432700 0.40432700 0.06419100 1.0 O O44 1 0.00000000 0.40432700 0.93580900 1.0 O O45 1 0.40432700 0.40432700 0.43580900 1.0 O O46 1 0.00000000 0.40432700 0.56419100 1.0 O O47 1 0.00000000 0.59567300 0.06419100 1.0 O O48 1 0.59567300 0.59567300 0.56419100 1.0 O O49 1 0.00000000 0.59567300 0.43580900 1.0 O O50 1 0.40432700 0.00000000 0.93580900 1.0 O O51 1 0.59567300 0.00000000 0.06419100 1.0 O O52 1 0.59567300 0.00000000 0.43580900 1.0 O O53 1 0.40432700 0.00000000 0.56419100 1.0