# generated using pymatgen data_Zr2Cr2F3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.43972311 _cell_length_b 6.43972311 _cell_length_c 6.01178520 _cell_angle_alpha 88.11931413 _cell_angle_beta 88.11931413 _cell_angle_gamma 103.69400407 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2Cr2F3 _chemical_formula_sum 'Zr4 Cr4 F6' _cell_volume 241.88001425 _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 Zr Zr0 1 0.13772300 0.13772300 0.18616700 1.0 Zr Zr1 1 0.20292900 0.67431000 0.34952300 1.0 Zr Zr2 1 0.67431000 0.20292900 0.34952300 1.0 Zr Zr3 1 0.77041200 0.77041200 0.23454900 1.0 Cr Cr4 1 0.96398400 0.50173500 0.90644800 1.0 Cr Cr5 1 0.95326600 0.95326600 0.66682900 1.0 Cr Cr6 1 0.59346700 0.59346700 0.66163100 1.0 Cr Cr7 1 0.50173500 0.96398400 0.90644800 1.0 F F8 1 0.35429100 0.35429100 0.37834300 1.0 F F9 1 0.59376500 0.22492500 0.69764300 1.0 F F10 1 0.22492500 0.59376500 0.69764300 1.0 F F11 1 0.67325600 0.42120100 0.06413900 1.0 F F12 1 0.42120100 0.67325600 0.06413900 1.0 F F13 1 0.17873700 0.17873700 0.83697300 1.0