# generated using pymatgen data_Zr2Ta2SiP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58549570 _cell_length_b 6.93957029 _cell_length_c 8.40589963 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2Ta2SiP _chemical_formula_sum 'Zr4 Ta4 Si2 P2' _cell_volume 209.15390852 _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 Zr Zr0 1 0.25000000 0.53559608 0.83352443 1.0 Zr Zr1 1 0.75000000 0.96440392 0.33352443 1.0 Zr Zr2 1 0.25000000 0.03802526 0.67019669 1.0 Zr Zr3 1 0.75000000 0.46197474 0.17019669 1.0 Ta Ta4 1 0.25000000 0.14123438 0.05894048 1.0 Ta Ta5 1 0.75000000 0.86822870 0.93931400 1.0 Ta Ta6 1 0.25000000 0.63177130 0.43931400 1.0 Ta Ta7 1 0.75000000 0.35876562 0.55894048 1.0 Si Si8 1 0.75000000 0.73842811 0.64033162 1.0 Si Si9 1 0.25000000 0.76157189 0.14033162 1.0 P P10 1 0.75000000 0.24092633 0.85769078 1.0 P P11 1 0.25000000 0.25907367 0.35769078 1.0