# generated using pymatgen data_Ti3In4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.99402500 _cell_length_b 9.99402500 _cell_length_c 2.98864900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3In4 _chemical_formula_sum 'Ti6 In8' _cell_volume 298.50786314 _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 Ti Ti0 1 0.17632700 0.32367300 0.50000000 1.0 Ti Ti1 1 0.32367300 0.82367300 0.50000000 1.0 Ti Ti2 1 0.67632700 0.17632700 0.50000000 1.0 Ti Ti3 1 0.50000000 0.00000000 0.00000000 1.0 Ti Ti4 1 0.82367300 0.67632700 0.50000000 1.0 Ti Ti5 1 0.00000000 0.50000000 0.00000000 1.0 In In6 1 0.44124300 0.28795600 0.00000000 1.0 In In7 1 0.78795600 0.94124300 0.00000000 1.0 In In8 1 0.05875700 0.78795600 0.00000000 1.0 In In9 1 0.28795600 0.55875700 0.00000000 1.0 In In10 1 0.55875700 0.71204400 0.00000000 1.0 In In11 1 0.71204400 0.44124300 0.00000000 1.0 In In12 1 0.21204400 0.05875700 0.00000000 1.0 In In13 1 0.94124300 0.21204400 0.00000000 1.0