# generated using pymatgen data_Zr4TiBeSb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.48366146 _cell_length_b 8.48366346 _cell_length_c 5.70245885 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000385 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4TiBeSb3 _chemical_formula_sum 'Zr8 Ti2 Be2 Sb6' _cell_volume 355.43446431 _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 0.50000000 1.0 Zr Zr1 1 0.33333300 0.66666700 0.50000000 1.0 Zr Zr2 1 0.74723787 0.74723787 0.25342997 1.0 Zr Zr3 1 0.25276213 0.00000000 0.25342997 1.0 Zr Zr4 1 1.00000000 0.25276213 0.25342997 1.0 Zr Zr5 1 0.25276213 0.25276213 0.74657003 1.0 Zr Zr6 1 0.74723787 1.00000000 0.74657003 1.0 Zr Zr7 1 0.00000000 0.74723787 0.74657003 1.0 Ti Ti8 1 0.33333300 0.66666700 0.00000000 1.0 Ti Ti9 1 0.66666700 0.33333300 0.00000000 1.0 Be Be10 1 0.00000000 0.00000000 0.00000000 1.0 Be Be11 1 0.00000000 0.00000000 0.50000000 1.0 Sb Sb12 1 0.39252477 0.39252477 0.24170479 1.0 Sb Sb13 1 0.60747523 0.00000000 0.24170479 1.0 Sb Sb14 1 1.00000000 0.60747523 0.24170479 1.0 Sb Sb15 1 0.60747523 0.60747523 0.75829521 1.0 Sb Sb16 1 0.39252477 1.00000000 0.75829521 1.0 Sb Sb17 1 0.00000000 0.39252477 0.75829521 1.0