# generated using pymatgen data_Pr3Ta(ClO2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.55740566 _cell_length_b 9.55740566 _cell_length_c 5.35571900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999766 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr3Ta(ClO2)3 _chemical_formula_sum 'Pr6 Ta2 Cl6 O12' _cell_volume 423.67073333 _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 Pr Pr0 1 0.90983000 0.59678200 0.75000000 1.0 Pr Pr1 1 0.09017000 0.40321800 0.25000000 1.0 Pr Pr2 1 0.68695200 0.09017000 0.75000000 1.0 Pr Pr3 1 0.31304800 0.90983000 0.25000000 1.0 Pr Pr4 1 0.40321800 0.31304800 0.75000000 1.0 Pr Pr5 1 0.59678200 0.68695200 0.25000000 1.0 Ta Ta6 1 0.33333300 0.66666700 0.75000000 1.0 Ta Ta7 1 0.66666700 0.33333300 0.25000000 1.0 Cl Cl8 1 0.75993700 0.81003900 0.75000000 1.0 Cl Cl9 1 0.24006300 0.18996100 0.25000000 1.0 Cl Cl10 1 0.05010200 0.24006300 0.75000000 1.0 Cl Cl11 1 0.94989800 0.75993700 0.25000000 1.0 Cl Cl12 1 0.18996100 0.94989800 0.75000000 1.0 Cl Cl13 1 0.81003900 0.05010200 0.25000000 1.0 O O14 1 0.47782300 0.84196200 0.98642000 1.0 O O15 1 0.52217700 0.15803800 0.01358000 1.0 O O16 1 0.36413800 0.52217700 0.98642000 1.0 O O17 1 0.52217700 0.15803800 0.48642000 1.0 O O18 1 0.63586200 0.47782300 0.01358000 1.0 O O19 1 0.47782300 0.84196200 0.51358000 1.0 O O20 1 0.15803800 0.63586200 0.98642000 1.0 O O21 1 0.63586200 0.47782300 0.48642000 1.0 O O22 1 0.84196200 0.36413800 0.01358000 1.0 O O23 1 0.36413800 0.52217700 0.51358000 1.0 O O24 1 0.84196200 0.36413800 0.48642000 1.0 O O25 1 0.15803800 0.63586200 0.51358000 1.0