# generated using pymatgen data_CrO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00466700 _cell_length_b 3.15569000 _cell_length_c 16.47629100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrO _chemical_formula_sum 'Cr6 O6' _cell_volume 156.22485655 _cell_formula_units_Z 6 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 0.50000000 0.89234500 0.83508300 1.0 Cr Cr1 1 0.00000000 0.64768700 0.50000000 1.0 Cr Cr2 1 0.50000000 0.89234500 0.16491700 1.0 Cr Cr3 1 0.00000000 0.32093300 0.00000000 1.0 Cr Cr4 1 0.50000000 0.11555000 0.33480900 1.0 Cr Cr5 1 0.50000000 0.11555000 0.66519100 1.0 O O6 1 0.00000000 0.04001000 0.75128300 1.0 O O7 1 0.00000000 0.82062900 0.91819600 1.0 O O8 1 0.00000000 0.82062900 0.08180400 1.0 O O9 1 0.00000000 0.04001000 0.24871700 1.0 O O10 1 0.00000000 0.15038700 0.41834900 1.0 O O11 1 0.00000000 0.15038700 0.58165100 1.0