# generated using pymatgen data_HfZr2TaAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.07726818 _cell_length_b 3.65394243 _cell_length_c 8.71685478 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZr2TaAs2 _chemical_formula_sum 'Hf2 Zr4 Ta2 As4' _cell_volume 225.41725897 _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 Hf Hf0 1 0.13581473 0.75000000 0.05967112 1.0 Hf Hf1 1 0.63581373 0.75000000 0.44032888 1.0 Zr Zr2 1 0.46558199 0.25000100 0.16877553 1.0 Zr Zr3 1 0.96558099 0.25000100 0.33122447 1.0 Zr Zr4 1 0.04163509 0.75000000 0.66638635 1.0 Zr Zr5 1 0.54163409 0.75000000 0.83361365 1.0 Ta Ta6 1 0.35777069 0.25000100 0.56131950 1.0 Ta Ta7 1 0.85776969 0.25000100 0.93868050 1.0 As As8 1 0.75795015 0.75000000 0.14075444 1.0 As As9 1 0.25795015 0.75000000 0.35924556 1.0 As As10 1 0.74124935 0.25000100 0.64589392 1.0 As As11 1 0.24124935 0.25000100 0.85410508 1.0