# generated using pymatgen data_Cr3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26046381 _cell_length_b 5.26048529 _cell_length_c 6.88150698 _cell_angle_alpha 88.31799988 _cell_angle_beta 88.31754169 _cell_angle_gamma 62.36648129 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr3O8 _chemical_formula_sum 'Cr3 O8' _cell_volume 168.60799062 _cell_formula_units_Z 1 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 Cr Cr0 1 0.36015200 0.36014600 0.27181100 1.0 Cr Cr1 1 0.00007200 0.00007300 0.50000200 1.0 Cr Cr2 1 0.63995100 0.63995800 0.72809700 1.0 O O3 1 0.78812400 0.27840900 0.69018900 1.0 O O4 1 0.21371500 0.21371100 0.42655400 1.0 O O5 1 0.21188200 0.72149600 0.30979300 1.0 O O6 1 0.68997800 0.68997700 0.94765000 1.0 O O7 1 0.27840000 0.78813600 0.69019600 1.0 O O8 1 0.30995500 0.30995600 0.05236500 1.0 O O9 1 0.72150500 0.21187000 0.30978600 1.0 O O10 1 0.78626400 0.78626800 0.57355600 1.0