# generated using pymatgen data_Zr3(CrGa3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35877200 _cell_length_b 7.79450900 _cell_length_c 8.81154800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3(CrGa3)2 _chemical_formula_sum 'Zr6 Cr4 Ga12' _cell_volume 368.04951830 _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 0.50000000 0.15371100 0.77903900 1.0 Zr Zr1 1 0.50000000 0.15371100 0.22096100 1.0 Zr Zr2 1 0.00000000 0.84628900 0.72096100 1.0 Zr Zr3 1 0.00000000 0.84628900 0.27903900 1.0 Zr Zr4 1 0.50000000 0.71532600 0.50000000 1.0 Zr Zr5 1 0.00000000 0.28467400 0.00000000 1.0 Cr Cr6 1 0.25000000 0.50000000 0.25000000 1.0 Cr Cr7 1 0.25000000 0.50000000 0.75000000 1.0 Cr Cr8 1 0.75000000 0.50000000 0.25000000 1.0 Cr Cr9 1 0.75000000 0.50000000 0.75000000 1.0 Ga Ga10 1 0.50000000 0.76417900 0.18640600 1.0 Ga Ga11 1 0.50000000 0.76417900 0.81359400 1.0 Ga Ga12 1 0.00000000 0.23582100 0.31359400 1.0 Ga Ga13 1 0.00000000 0.23582100 0.68640600 1.0 Ga Ga14 1 0.50000000 0.36597900 0.50000000 1.0 Ga Ga15 1 0.00000000 0.63402100 0.00000000 1.0 Ga Ga16 1 0.00000000 0.56186300 0.50000000 1.0 Ga Ga17 1 0.50000000 0.43813700 0.00000000 1.0 Ga Ga18 1 0.26046200 0.04099800 0.50000000 1.0 Ga Ga19 1 0.73953800 0.04099800 0.50000000 1.0 Ga Ga20 1 0.23953800 0.95900200 0.00000000 1.0 Ga Ga21 1 0.76046200 0.95900200 0.00000000 1.0