# generated using pymatgen data_NaSr7Cu8(SF)8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.91249100 _cell_length_b 7.91249100 _cell_length_c 8.74746200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSr7Cu8(SF)8 _chemical_formula_sum 'Na1 Sr7 Cu8 S8 F8' _cell_volume 547.65684810 _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 Na Na0 1 0.00000000 0.00000000 0.97039900 1.0 Sr Sr1 1 0.24771700 0.75228300 0.66870900 1.0 Sr Sr2 1 0.50000000 0.00000000 0.00058900 1.0 Sr Sr3 1 0.50000000 0.50000000 0.00358100 1.0 Sr Sr4 1 0.75228300 0.75228300 0.66870900 1.0 Sr Sr5 1 0.75228300 0.24771700 0.66870900 1.0 Sr Sr6 1 0.00000000 0.50000000 0.00058900 1.0 Sr Sr7 1 0.24771700 0.24771700 0.66870900 1.0 Cu Cu8 1 0.74833100 0.50000000 0.33347500 1.0 Cu Cu9 1 0.50000000 0.25166900 0.33347500 1.0 Cu Cu10 1 0.00000000 0.75172500 0.32966800 1.0 Cu Cu11 1 0.50000000 0.74833100 0.33347500 1.0 Cu Cu12 1 0.24827500 0.00000000 0.32966800 1.0 Cu Cu13 1 0.75172500 0.00000000 0.32966800 1.0 Cu Cu14 1 0.25166900 0.50000000 0.33347500 1.0 Cu Cu15 1 0.00000000 0.24827500 0.32966800 1.0 S S16 1 0.74840200 0.74840200 0.17728900 1.0 S S17 1 0.00000000 0.00000000 0.48964400 1.0 S S18 1 0.25159800 0.25159800 0.17728900 1.0 S S19 1 0.00000000 0.50000000 0.49108000 1.0 S S20 1 0.50000000 0.50000000 0.49605400 1.0 S S21 1 0.50000000 0.00000000 0.49108000 1.0 S S22 1 0.74840200 0.25159800 0.17728900 1.0 S S23 1 0.25159800 0.74840200 0.17728900 1.0 F F24 1 0.50000000 0.74879600 0.83364500 1.0 F F25 1 0.74747900 0.00000000 0.83199500 1.0 F F26 1 0.25252100 0.00000000 0.83199500 1.0 F F27 1 0.00000000 0.74747900 0.83199500 1.0 F F28 1 0.50000000 0.25120400 0.83364500 1.0 F F29 1 0.25120400 0.50000000 0.83364500 1.0 F F30 1 0.00000000 0.25252100 0.83199500 1.0 F F31 1 0.74879600 0.50000000 0.83364500 1.0