# generated using pymatgen data_Zr10In6CuAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.74076795 _cell_length_b 8.74076843 _cell_length_c 5.86892927 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999817 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr10In6CuAs _chemical_formula_sum 'Zr10 In6 Cu1 As1' _cell_volume 388.31907144 _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 0.74418846 0.74418846 0.24812796 1.0 Zr Zr1 1 0.25581154 0.00000000 0.24812796 1.0 Zr Zr2 1 0.00000000 0.25581154 0.24812796 1.0 Zr Zr3 1 0.25581154 0.25581154 0.75187204 1.0 Zr Zr4 1 0.74418846 0.00000000 0.75187204 1.0 Zr Zr5 1 1.00000000 0.74418846 0.75187204 1.0 Zr Zr6 1 0.66666700 0.33333300 0.50000000 1.0 Zr Zr7 1 0.33333300 0.66666700 0.50000000 1.0 Zr Zr8 1 0.33333300 0.66666700 0.00000000 1.0 Zr Zr9 1 0.66666700 0.33333300 0.00000000 1.0 In In10 1 0.38990274 0.38990274 0.24899556 1.0 In In11 1 0.61009726 0.00000000 0.24899556 1.0 In In12 1 0.00000000 0.61009726 0.24899556 1.0 In In13 1 0.61009726 0.61009726 0.75100444 1.0 In In14 1 0.38990274 0.00000000 0.75100444 1.0 In In15 1 1.00000000 0.38990274 0.75100444 1.0 Cu Cu16 1 0.00000000 0.00000000 0.00000000 1.0 As As17 1 0.00000000 0.00000000 0.50000000 1.0