# generated using pymatgen data_RePO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.85800712 _cell_length_b 8.85800712 _cell_length_c 5.27819033 _cell_angle_alpha 89.91363934 _cell_angle_beta 89.91363934 _cell_angle_gamma 92.54182272 _symmetry_Int_Tables_number 1 _chemical_formula_structural RePO5 _chemical_formula_sum 'Re4 P4 O20' _cell_volume 413.74099800 _cell_formula_units_Z 4 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 Re Re0 1 0.05253937 0.24661662 0.75104588 1.0 Re Re1 1 0.75338338 0.94746063 0.74895412 1.0 Re Re2 1 0.94746063 0.75338338 0.24895412 1.0 Re Re3 1 0.24661662 0.05253937 0.25104588 1.0 P P4 1 0.15315727 0.60878362 0.76596843 1.0 P P5 1 0.39121638 0.84684273 0.73403157 1.0 P P6 1 0.84684273 0.39121638 0.23403157 1.0 P P7 1 0.60878362 0.15315727 0.26596843 1.0 O O8 1 0.32606476 0.93730853 0.94390110 1.0 O O9 1 0.06269147 0.67393524 0.55609890 1.0 O O10 1 0.67393524 0.06269147 0.05609890 1.0 O O11 1 0.93730853 0.32606476 0.44390110 1.0 O O12 1 0.67882345 0.32117655 0.25000000 1.0 O O13 1 0.32117655 0.67882345 0.75000000 1.0 O O14 1 0.55873556 0.82356043 0.76660238 1.0 O O15 1 0.17643957 0.44126444 0.73339762 1.0 O O16 1 0.44126444 0.17643957 0.23339762 1.0 O O17 1 0.82356043 0.55873556 0.26660238 1.0 O O18 1 0.90492500 0.35717183 0.97148817 1.0 O O19 1 0.64282817 0.09507500 0.52851183 1.0 O O20 1 0.09507500 0.64282817 0.02851183 1.0 O O21 1 0.35717183 0.90492500 0.47148817 1.0 O O22 1 0.92034222 0.07965778 0.75000000 1.0 O O23 1 0.07965778 0.92034222 0.25000000 1.0 O O24 1 0.18028179 0.15532191 0.52459005 1.0 O O25 1 0.84467809 0.81971821 0.97540995 1.0 O O26 1 0.81971821 0.84467809 0.47540995 1.0 O O27 1 0.15532191 0.18028179 0.02459005 1.0