# generated using pymatgen data_K3Cr4O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00256263 _cell_length_b 10.21241302 _cell_length_c 12.23023002 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K3Cr4O8 _chemical_formula_sum 'K6 Cr8 O16' _cell_volume 375.02055403 _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 K K0 1 0.00000000 0.34944343 0.50000000 1.0 K K1 1 0.00000000 0.69298919 0.50000000 1.0 K K2 1 0.00000000 0.00310292 0.00000000 1.0 K K3 1 0.50000000 0.65055657 0.00000000 1.0 K K4 1 0.50000000 0.99689708 0.50000000 1.0 K K5 1 0.50000000 0.30701081 0.00000000 1.0 Cr Cr6 1 0.00000000 0.87426430 0.74634514 1.0 Cr Cr7 1 0.00000000 0.87426430 0.25365486 1.0 Cr Cr8 1 0.00000000 0.37611026 0.75547722 1.0 Cr Cr9 1 0.00000000 0.37611026 0.24452278 1.0 Cr Cr10 1 0.50000000 0.62388974 0.74452278 1.0 Cr Cr11 1 0.50000000 0.62388974 0.25547722 1.0 Cr Cr12 1 0.50000000 0.12573570 0.24634514 1.0 Cr Cr13 1 0.50000000 0.12573570 0.75365486 1.0 O O14 1 0.00000000 0.70817286 0.82485528 1.0 O O15 1 0.00000000 0.20606481 0.83937237 1.0 O O16 1 0.00000000 0.70817286 0.17514472 1.0 O O17 1 0.00000000 0.53663991 0.66614358 1.0 O O18 1 0.00000000 0.20606481 0.16062763 1.0 O O19 1 0.00000000 0.04625110 0.67099416 1.0 O O20 1 0.00000000 0.53663991 0.33385642 1.0 O O21 1 0.00000000 0.04625110 0.32900584 1.0 O O22 1 0.50000000 0.46336009 0.83385642 1.0 O O23 1 0.50000000 0.95374890 0.82900584 1.0 O O24 1 0.50000000 0.79393519 0.66062763 1.0 O O25 1 0.50000000 0.29182714 0.67514472 1.0 O O26 1 0.50000000 0.95374890 0.17099416 1.0 O O27 1 0.50000000 0.79393519 0.33937237 1.0 O O28 1 0.50000000 0.46336009 0.16614358 1.0 O O29 1 0.50000000 0.29182714 0.32485528 1.0