# generated using pymatgen data_Ti10Sb6Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.11212421 _cell_length_b 8.11212272 _cell_length_c 5.49288594 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000201 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti10Sb6Se _chemical_formula_sum 'Ti10 Sb6 Se1' _cell_volume 313.04034066 _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 Ti Ti0 1 0.66666700 0.33333300 0.50000000 1.0 Ti Ti1 1 0.33333300 0.66666700 0.50000000 1.0 Ti Ti2 1 0.33333300 0.66666700 0.00000000 1.0 Ti Ti3 1 0.66666700 0.33333300 0.00000000 1.0 Ti Ti4 1 0.74347556 0.74347556 0.23515910 1.0 Ti Ti5 1 0.25652444 0.00000000 0.23515910 1.0 Ti Ti6 1 0.00000000 0.25652444 0.23515910 1.0 Ti Ti7 1 0.25652444 0.25652444 0.76484090 1.0 Ti Ti8 1 0.74347556 0.00000000 0.76484090 1.0 Ti Ti9 1 1.00000000 0.74347556 0.76484090 1.0 Sb Sb10 1 0.39141053 0.39141053 0.24867869 1.0 Sb Sb11 1 0.60858947 0.00000000 0.24867869 1.0 Sb Sb12 1 1.00000000 0.60858947 0.24867869 1.0 Sb Sb13 1 0.60858947 0.60858947 0.75132131 1.0 Sb Sb14 1 0.39141053 1.00000000 0.75132131 1.0 Sb Sb15 1 0.00000000 0.39141053 0.75132131 1.0 Se Se16 1 0.00000000 0.00000000 0.50000000 1.0