# generated using pymatgen data_Pr3RuO7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.66046435 _cell_length_b 6.66046435 _cell_length_c 7.57852050 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.46760385 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr3RuO7 _chemical_formula_sum 'Pr6 Ru2 O14' _cell_volume 310.67794492 _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 0.46607250 0.90535393 0.75000000 1.0 Pr Pr1 1 0.53392750 0.09464607 0.25000000 1.0 Pr Pr2 1 0.90535393 0.46607250 0.75000000 1.0 Pr Pr3 1 0.09464607 0.53392750 0.25000000 1.0 Pr Pr4 1 -0.00000000 -0.00000000 0.50000000 1.0 Pr Pr5 1 -0.00000000 -0.00000000 0.00000000 1.0 Ru Ru6 1 0.50000000 0.50000000 0.50000000 1.0 Ru Ru7 1 0.50000000 0.50000000 0.00000000 1.0 O O8 1 0.58147160 0.58147160 0.75000000 1.0 O O9 1 0.41852840 0.41852840 0.25000000 1.0 O O10 1 0.83878701 0.10055035 0.75000000 1.0 O O11 1 0.16121299 0.89944965 0.25000000 1.0 O O12 1 0.10055035 0.83878701 0.75000000 1.0 O O13 1 0.89944965 0.16121299 0.25000000 1.0 O O14 1 0.44125205 0.19269838 0.95833583 1.0 O O15 1 0.55874795 0.80730162 0.45833583 1.0 O O16 1 0.19269838 0.44125205 0.95833583 1.0 O O17 1 0.80730162 0.55874795 0.45833583 1.0 O O18 1 0.44125205 0.19269838 0.54166417 1.0 O O19 1 0.55874795 0.80730162 0.04166417 1.0 O O20 1 0.80730162 0.55874795 0.04166417 1.0 O O21 1 0.19269838 0.44125205 0.54166417 1.0