# generated using pymatgen data_Cr2OF2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.31590649 _cell_length_b 6.48957455 _cell_length_c 6.01933127 _cell_angle_alpha 71.47311689 _cell_angle_beta 57.25416157 _cell_angle_gamma 51.27272154 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2OF2 _chemical_formula_sum 'Cr4 O2 F4' _cell_volume 187.42272359 _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 Cr Cr0 1 0.12500000 0.12500000 0.62500000 1.0 Cr Cr1 1 0.12500000 0.12500000 0.12500000 1.0 Cr Cr2 1 0.12500000 0.62500000 0.12500000 1.0 Cr Cr3 1 0.62500000 0.12500000 0.12500000 1.0 O O4 1 0.25000000 0.25000000 0.25000000 1.0 O O5 1 0.00000000 0.00000000 0.00000000 1.0 F F6 1 0.24833800 0.24833800 0.75166200 1.0 F F7 1 0.49833800 0.49833800 0.00166200 1.0 F F8 1 0.75166200 0.75166200 0.24833800 1.0 F F9 1 0.00166200 0.00166200 0.49833800 1.0