# generated using pymatgen data_Ca4DyIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.59952267 _cell_length_b 7.40581526 _cell_length_c 8.61431951 _cell_angle_alpha 97.47450169 _cell_angle_beta 112.52307364 _cell_angle_gamma 89.99999407 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca4DyIr2 _chemical_formula_sum 'Ca8 Dy2 Ir4' _cell_volume 385.03435299 _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 Ca Ca0 1 0.80460902 0.08087358 0.82708313 1.0 Ca Ca1 1 0.97752688 0.41912642 0.17291687 1.0 Ca Ca2 1 0.19539098 0.91912642 0.17291687 1.0 Ca Ca3 1 0.02247312 0.58087358 0.82708313 1.0 Ca Ca4 1 0.20153556 0.18072713 0.56558379 1.0 Ca Ca5 1 0.63595076 0.31927287 0.43441621 1.0 Ca Ca6 1 0.79846444 0.81927287 0.43441621 1.0 Ca Ca7 1 0.36404924 0.68072713 0.56558379 1.0 Dy Dy8 1 0.43900783 0.25000000 1.00000000 1.0 Dy Dy9 1 0.56099217 0.75000000 0.00000000 1.0 Ir Ir10 1 0.59815803 0.42494829 0.79227356 1.0 Ir Ir11 1 0.80588347 0.07505171 0.20772644 1.0 Ir Ir12 1 0.40184197 0.57505171 0.20772644 1.0 Ir Ir13 1 0.19411653 0.92494829 0.79227356 1.0