# generated using pymatgen data_Hf4Ta4SiP3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.52150197 _cell_length_b 6.87588391 _cell_length_c 8.31703046 _cell_angle_alpha 89.72256670 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf4Ta4SiP3 _chemical_formula_sum 'Hf4 Ta4 Si1 P3' _cell_volume 201.38154667 _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 Hf Hf0 1 0.25000000 0.03256629 0.66641448 1.0 Hf Hf1 1 0.25000000 0.52979888 0.83141489 1.0 Hf Hf2 1 0.75000000 0.46951170 0.16531759 1.0 Hf Hf3 1 0.75000000 0.96636963 0.33293064 1.0 Ta Ta4 1 0.75000000 0.85650586 0.93949001 1.0 Ta Ta5 1 0.25000000 0.64234646 0.44080070 1.0 Ta Ta6 1 0.75000000 0.36289053 0.56374327 1.0 Ta Ta7 1 0.25000000 0.13860902 0.05749458 1.0 Si Si8 1 0.25000000 0.26341508 0.35755818 1.0 P P9 1 0.25000000 0.76462269 0.14514920 1.0 P P10 1 0.75000000 0.73919365 0.64383441 1.0 P P11 1 0.75000000 0.23417021 0.85585005 1.0