# generated using pymatgen data_Ho4TiIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.63207612 _cell_length_b 10.63207612 _cell_length_c 6.12111757 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ho4TiIr3 _chemical_formula_sum 'Ho16 Ti4 Ir12' _cell_volume 691.93751247 _cell_formula_units_Z 4 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 Ho Ho0 1 0.28570609 0.08480686 0.37722839 1.0 Ho Ho1 1 0.28570609 0.91519314 0.87722839 1.0 Ho Ho2 1 0.71429391 0.08480686 0.87722839 1.0 Ho Ho3 1 0.71429391 0.91519314 0.37722839 1.0 Ho Ho4 1 0.58480686 0.78570609 0.87722839 1.0 Ho Ho5 1 0.58480686 0.21429391 0.37722839 1.0 Ho Ho6 1 0.41519314 0.78570609 0.37722839 1.0 Ho Ho7 1 0.41519314 0.21429391 0.87722839 1.0 Ho Ho8 1 0.21429391 0.41519314 0.62277161 1.0 Ho Ho9 1 0.21429391 0.58480686 0.12277161 1.0 Ho Ho10 1 0.78570609 0.41519314 0.12277161 1.0 Ho Ho11 1 0.78570609 0.58480686 0.62277161 1.0 Ho Ho12 1 0.91519314 0.71429391 0.12277161 1.0 Ho Ho13 1 0.91519314 0.28570609 0.62277161 1.0 Ho Ho14 1 0.08480686 0.71429391 0.62277161 1.0 Ho Ho15 1 0.08480686 0.28570609 0.12277161 1.0 Ti Ti16 1 0.00000000 0.00000000 0.50000000 1.0 Ti Ti17 1 0.00000000 0.00000000 0.00000000 1.0 Ti Ti18 1 0.50000000 0.50000000 0.00000000 1.0 Ti Ti19 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir20 1 0.86245574 0.13754426 0.25000000 1.0 Ir Ir21 1 0.86245574 0.86245574 0.75000000 1.0 Ir Ir22 1 0.13754426 0.13754426 0.75000000 1.0 Ir Ir23 1 0.13754426 0.86245574 0.25000000 1.0 Ir Ir24 1 0.63754426 0.36245574 0.75000000 1.0 Ir Ir25 1 0.63754426 0.63754426 0.25000000 1.0 Ir Ir26 1 0.36245574 0.36245574 0.25000000 1.0 Ir Ir27 1 0.36245574 0.63754426 0.75000000 1.0 Ir Ir28 1 0.50000000 0.00000000 0.12152080 1.0 Ir Ir29 1 0.50000000 0.00000000 0.62152080 1.0 Ir Ir30 1 0.00000000 0.50000000 0.87847920 1.0 Ir Ir31 1 0.00000000 0.50000000 0.37847920 1.0