# generated using pymatgen data_Sr2Cu(OF)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.07138020 _cell_length_b 7.07138020 _cell_length_c 7.07138020 _cell_angle_alpha 147.09116127 _cell_angle_beta 147.09116127 _cell_angle_gamma 47.22882202 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2Cu(OF)2 _chemical_formula_sum 'Sr2 Cu1 O2 F2' _cell_volume 103.97757511 _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 Sr Sr0 1 0.36545800 0.36545800 0.00000000 1.0 Sr Sr1 1 0.63454200 0.63454200 0.00000000 1.0 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1.0 O O3 1 0.50000000 0.00000000 0.50000000 1.0 O O4 1 0.00000000 0.50000000 0.50000000 1.0 F F5 1 0.75000000 0.25000000 0.50000000 1.0 F F6 1 0.25000000 0.75000000 0.50000000 1.0