# generated using pymatgen data_Zr5BeSn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.60695421 _cell_length_b 8.60695323 _cell_length_c 5.83955959 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000378 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr5BeSn3 _chemical_formula_sum 'Zr10 Be2 Sn6' _cell_volume 374.63611841 _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 0.66666700 0.33333300 0.00000000 1.0 Zr Zr1 1 0.33333300 0.66666700 0.00000000 1.0 Zr Zr2 1 0.33333300 0.66666700 0.50000000 1.0 Zr Zr3 1 0.66666700 0.33333300 0.50000000 1.0 Zr Zr4 1 0.74942429 0.74942429 0.75000000 1.0 Zr Zr5 1 0.25057571 0.00000000 0.75000000 1.0 Zr Zr6 1 1.00000000 0.25057571 0.75000000 1.0 Zr Zr7 1 0.25057571 0.25057571 0.25000000 1.0 Zr Zr8 1 0.74942429 0.00000000 0.25000000 1.0 Zr Zr9 1 0.00000000 0.74942429 0.25000000 1.0 Be Be10 1 0.00000000 0.00000000 0.00000000 1.0 Be Be11 1 0.00000000 0.00000000 0.50000000 1.0 Sn Sn12 1 0.38959650 0.38959650 0.75000000 1.0 Sn Sn13 1 0.61040350 0.00000000 0.75000000 1.0 Sn Sn14 1 1.00000000 0.61040350 0.75000000 1.0 Sn Sn15 1 0.61040350 0.61040350 0.25000000 1.0 Sn Sn16 1 0.38959650 0.00000000 0.25000000 1.0 Sn Sn17 1 0.00000000 0.38959650 0.25000000 1.0