# generated using pymatgen data_LaZr(SnIr)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.46050026 _cell_length_b 7.46050022 _cell_length_c 7.94614181 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999590 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaZr(SnIr)2 _chemical_formula_sum 'La3 Zr3 Sn6 Ir6' _cell_volume 383.02124005 _cell_formula_units_Z 3 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 La La0 1 0.58950013 0.58948894 0.75000000 1.0 La La1 1 0.99998780 0.41049987 0.75000000 1.0 La La2 1 0.41051106 0.00001220 0.75000000 1.0 Zr Zr3 1 0.39431797 0.00007553 0.25000000 1.0 Zr Zr4 1 0.60575856 0.60568203 0.25000000 1.0 Zr Zr5 1 0.99992447 0.39424144 0.25000000 1.0 Sn Sn6 1 0.26091322 0.26095166 0.48566333 1.0 Sn Sn7 1 0.26091322 0.26095166 0.01433667 1.0 Sn Sn8 1 0.73904834 0.99996356 0.01433667 1.0 Sn Sn9 1 0.00003644 0.73908678 0.48566333 1.0 Sn Sn10 1 0.73904834 0.99996356 0.48566333 1.0 Sn Sn11 1 0.00003644 0.73908678 0.01433667 1.0 Ir Ir12 1 0.66666700 0.33333300 0.45446677 1.0 Ir Ir13 1 0.66666700 0.33333300 0.04553323 1.0 Ir Ir14 1 0.33333300 0.66666700 0.04565504 1.0 Ir Ir15 1 0.33333300 0.66666700 0.45434496 1.0 Ir Ir16 1 0.00000000 0.00000000 0.75000000 1.0 Ir Ir17 1 0.00000000 0.00000000 0.25000000 1.0