# generated using pymatgen data_Zr4Ta3TiAs4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61794056 _cell_length_b 7.01940675 _cell_length_c 8.52155732 _cell_angle_alpha 90.09984604 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4Ta3TiAs4 _chemical_formula_sum 'Zr4 Ta3 Ti1 As4' _cell_volume 216.41140643 _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 0.54110329 0.83252044 1.0 Zr Zr1 1 0.75000000 0.95929992 0.33235948 1.0 Zr Zr2 1 0.25000000 0.04234466 0.66837042 1.0 Zr Zr3 1 0.75000000 0.46098463 0.16727033 1.0 Ta Ta4 1 0.75000000 0.86480220 0.93982861 1.0 Ta Ta5 1 0.25000000 0.63426658 0.43984183 1.0 Ta Ta6 1 0.75000000 0.36422181 0.55987829 1.0 Ti Ti7 1 0.25000000 0.13219358 0.05978866 1.0 As As8 1 0.75000000 0.74468160 0.64221492 1.0 As As9 1 0.25000000 0.75827673 0.14073492 1.0 As As10 1 0.75000000 0.24245145 0.86390765 1.0 As As11 1 0.25000000 0.25537355 0.35328546 1.0