# generated using pymatgen data_Zr4Ta4SiAs3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61765958 _cell_length_b 7.03783384 _cell_length_c 8.52627144 _cell_angle_alpha 90.12265984 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4Ta4SiAs3 _chemical_formula_sum 'Zr4 Ta4 Si1 As3' _cell_volume 217.08252583 _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 0.54347956 0.83015725 1.0 Zr Zr1 1 0.75000000 0.95814581 0.33552633 1.0 Zr Zr2 1 0.25000000 0.03492544 0.66678015 1.0 Zr Zr3 1 0.75000000 0.45980955 0.16753038 1.0 Ta Ta4 1 0.25000000 0.13585055 0.05939734 1.0 Ta Ta5 1 0.75000000 0.86572790 0.93873366 1.0 Ta Ta6 1 0.25000000 0.63607261 0.44230457 1.0 Ta Ta7 1 0.75000000 0.36786828 0.56047116 1.0 Si Si8 1 0.75000000 0.74179212 0.64164942 1.0 As As9 1 0.25000000 0.75682339 0.14223508 1.0 As As10 1 0.75000000 0.24415299 0.85664648 1.0 As As11 1 0.25000000 0.25534980 0.35856617 1.0