# generated using pymatgen data_SrF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.11676904 _cell_length_b 4.42937486 _cell_length_c 6.20956673 _cell_angle_alpha 84.54505994 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrF3 _chemical_formula_sum 'Sr2 F6' _cell_volume 112.71688215 _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 Sr Sr0 1 0.75000000 0.77433199 0.28724064 1.0 Sr Sr1 1 0.25000000 0.22566801 0.71275936 1.0 F F2 1 0.75000000 0.25085892 0.46590268 1.0 F F3 1 0.25000000 0.74914108 0.53409732 1.0 F F4 1 0.75000000 0.91210405 0.87476257 1.0 F F5 1 0.25000000 0.08789595 0.12523743 1.0 F F6 1 0.75000000 0.47931301 0.86208677 1.0 F F7 1 0.25000000 0.52068699 0.13791323 1.0