# generated using pymatgen data_Lu3Ti2InIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.01364602 _cell_length_b 6.84273663 _cell_length_c 4.26345596 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.82972684 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu3Ti2InIr3 _chemical_formula_sum 'Lu3 Ti2 In1 Ir3' _cell_volume 175.70088001 _cell_formula_units_Z 1 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 Lu Lu0 1 0.99841046 0.40885313 0.50000000 1.0 Lu Lu1 1 0.58955833 0.59114687 0.50000000 1.0 Lu Lu2 1 0.42096965 0.00000000 0.50000000 1.0 Ti Ti3 1 0.99798945 0.75050053 0.00000000 1.0 Ti Ti4 1 0.24748892 0.24949947 0.00000000 1.0 In In5 1 0.75521690 0.00000000 0.00000000 1.0 Ir Ir6 1 0.30584803 0.65115174 0.00000000 1.0 Ir Ir7 1 0.65469829 0.34884826 0.00000000 1.0 Ir Ir8 1 0.02981896 1.00000000 0.50000000 1.0