# generated using pymatgen data_Zr6Ta4Sn6As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.68367004 _cell_length_b 8.44534669 _cell_length_c 8.44525487 _cell_angle_alpha 120.00036705 _cell_angle_beta 90.00015430 _cell_angle_gamma 89.99969646 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Ta4Sn6As _chemical_formula_sum 'Zr6 Ta4 Sn6 As1' _cell_volume 351.06547897 _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 0.76474649 0.25675828 1.00000000 1.0 Zr Zr1 1 0.76475471 0.74324989 0.74324754 1.0 Zr Zr2 1 0.76475471 0.00000235 0.25675246 1.0 Zr Zr3 1 0.23525451 0.74324372 0.00000000 1.0 Zr Zr4 1 0.23524629 0.25675011 0.25675346 1.0 Zr Zr5 1 0.23524629 0.99999665 0.74324654 1.0 Ta Ta6 1 0.50000000 0.33333265 0.66666831 1.0 Ta Ta7 1 0.50000000 0.66666535 0.33333169 1.0 Ta Ta8 1 0.00000000 0.66666399 0.33332998 1.0 Ta Ta9 1 0.00000000 0.33333401 0.66667002 1.0 Sn Sn10 1 0.74715925 0.60463836 1.00000000 1.0 Sn Sn11 1 0.74715400 0.39536741 0.39536761 1.0 Sn Sn12 1 0.74715400 0.00000080 0.60463239 1.0 Sn Sn13 1 0.25283975 0.39536364 0.00000000 1.0 Sn Sn14 1 0.25284500 0.60463259 0.60463239 1.0 Sn Sn15 1 0.25284500 0.00000020 0.39536761 1.0 As As16 1 0.50000000 0.00000100 0.00000000 1.0