# generated using pymatgen data_Nd3Ta(ClO2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.49510599 _cell_length_b 9.49510599 _cell_length_c 5.32289200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999995 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd3Ta(ClO2)3 _chemical_formula_sum 'Nd6 Ta2 Cl6 O12' _cell_volume 415.60227926 _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 0.40366000 0.08979000 0.25000000 1.0 Nd Nd1 1 0.59634000 0.91021000 0.75000000 1.0 Nd Nd2 1 0.91021000 0.31387000 0.25000000 1.0 Nd Nd3 1 0.08979000 0.68613000 0.75000000 1.0 Nd Nd4 1 0.68613000 0.59634000 0.25000000 1.0 Nd Nd5 1 0.31387000 0.40366000 0.75000000 1.0 Ta Ta6 1 0.33333300 0.66666700 0.25000000 1.0 Ta Ta7 1 0.66666700 0.33333300 0.75000000 1.0 Cl Cl8 1 0.19011700 0.24040400 0.25000000 1.0 Cl Cl9 1 0.80988300 0.75959600 0.75000000 1.0 Cl Cl10 1 0.75959600 0.94971300 0.25000000 1.0 Cl Cl11 1 0.24040400 0.05028700 0.75000000 1.0 Cl Cl12 1 0.05028700 0.80988300 0.25000000 1.0 Cl Cl13 1 0.94971300 0.19011700 0.75000000 1.0 O O14 1 0.15697100 0.52145300 0.01213100 1.0 O O15 1 0.84302900 0.47854700 0.98786900 1.0 O O16 1 0.47854700 0.63551900 0.01213100 1.0 O O17 1 0.84302900 0.47854700 0.51213100 1.0 O O18 1 0.52145300 0.36448100 0.98786900 1.0 O O19 1 0.15697100 0.52145300 0.48786900 1.0 O O20 1 0.36448100 0.84302900 0.01213100 1.0 O O21 1 0.52145300 0.36448100 0.51213100 1.0 O O22 1 0.63551900 0.15697100 0.98786900 1.0 O O23 1 0.47854700 0.63551900 0.48786900 1.0 O O24 1 0.63551900 0.15697100 0.51213100 1.0 O O25 1 0.36448100 0.84302900 0.48786900 1.0