# generated using pymatgen data_Zr3Ti2BSb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.33686725 _cell_length_b 8.33686670 _cell_length_c 5.60133372 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000220 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3Ti2BSb3 _chemical_formula_sum 'Zr6 Ti4 B2 Sb6' _cell_volume 337.15360982 _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 0.76348566 0.76348566 0.75000000 1.0 Zr Zr1 1 0.23651434 0.00000000 0.75000000 1.0 Zr Zr2 1 0.00000000 0.23651434 0.75000000 1.0 Zr Zr3 1 0.23651434 0.23651434 0.25000000 1.0 Zr Zr4 1 0.76348566 0.00000000 0.25000000 1.0 Zr Zr5 1 1.00000000 0.76348566 0.25000000 1.0 Ti Ti6 1 0.66666700 0.33333300 0.00000000 1.0 Ti Ti7 1 0.33333300 0.66666700 0.00000000 1.0 Ti Ti8 1 0.33333300 0.66666700 0.50000000 1.0 Ti Ti9 1 0.66666700 0.33333300 0.50000000 1.0 B B10 1 0.00000000 0.00000000 0.00000000 1.0 B B11 1 0.00000000 0.00000000 0.50000000 1.0 Sb Sb12 1 0.40353117 0.40353117 0.75000000 1.0 Sb Sb13 1 0.59646883 0.00000000 0.75000000 1.0 Sb Sb14 1 0.00000000 0.59646883 0.75000000 1.0 Sb Sb15 1 0.59646883 0.59646883 0.25000000 1.0 Sb Sb16 1 0.40353117 0.00000000 0.25000000 1.0 Sb Sb17 1 0.00000000 0.40353117 0.25000000 1.0