# generated using pymatgen data_Zr2TiReSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.53679754 _cell_length_b 6.90694104 _cell_length_c 8.22152481 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2TiReSi2 _chemical_formula_sum 'Zr4 Ti2 Re2 Si4' _cell_volume 200.83912476 _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 0.25000000 0.54336942 0.16492963 1.0 Zr Zr1 1 0.25000000 0.04336942 0.33507037 1.0 Zr Zr2 1 0.75000000 0.46225125 0.83129435 1.0 Zr Zr3 1 0.75000000 0.96225125 0.66870565 1.0 Ti Ti4 1 0.25000000 0.62657850 0.55921046 1.0 Ti Ti5 1 0.25000000 0.12657850 0.94078954 1.0 Re Re6 1 0.75000000 0.36856461 0.43896208 1.0 Re Re7 1 0.75000000 0.86856461 0.06103792 1.0 Si Si8 1 0.25000000 0.75833764 0.86394717 1.0 Si Si9 1 0.25000000 0.25833764 0.63605283 1.0 Si Si10 1 0.75000000 0.24089859 0.14181961 1.0 Si Si11 1 0.75000000 0.74089859 0.35818039 1.0