# generated using pymatgen data_Zr4Ta4SiP3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56481237 _cell_length_b 6.92499312 _cell_length_c 8.35811406 _cell_angle_alpha 89.79607649 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4Ta4SiP3 _chemical_formula_sum 'Zr4 Ta4 Si1 P3' _cell_volume 206.32961354 _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 Zr Zr0 1 0.25000000 0.03385079 0.66846277 1.0 Zr Zr1 1 0.25000000 0.53195133 0.83045254 1.0 Zr Zr2 1 0.75000000 0.46832705 0.16609610 1.0 Zr Zr3 1 0.75000000 0.96430328 0.33161510 1.0 Ta Ta4 1 0.75000000 0.85920025 0.93978766 1.0 Ta Ta5 1 0.25000000 0.64023792 0.44102851 1.0 Ta Ta6 1 0.75000000 0.36478508 0.56334092 1.0 Ta Ta7 1 0.25000000 0.13633583 0.05723878 1.0 Si Si8 1 0.25000000 0.26261877 0.35881465 1.0 P P9 1 0.25000000 0.76355541 0.14297907 1.0 P P10 1 0.75000000 0.73938086 0.64212075 1.0 P P11 1 0.75000000 0.23545344 0.85806316 1.0