# generated using pymatgen data_Ca3DyIr8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31413070 _cell_length_b 5.31413129 _cell_length_c 8.72735815 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000245 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3DyIr8 _chemical_formula_sum 'Ca3 Dy1 Ir8' _cell_volume 213.44104137 _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 Ca Ca0 1 0.33333400 0.66666700 0.43748385 1.0 Ca Ca1 1 0.66666600 0.33333400 0.56776657 1.0 Ca Ca2 1 0.66666600 0.33333400 0.92740918 1.0 Dy Dy3 1 0.33333400 0.66666700 0.06994021 1.0 Ir Ir4 1 0.00000000 0.00000000 0.99900050 1.0 Ir Ir5 1 0.34069042 0.17034571 0.24814154 1.0 Ir Ir6 1 0.82965429 0.17034571 0.24814154 1.0 Ir Ir7 1 0.82965429 0.65930858 0.24814154 1.0 Ir Ir8 1 0.00000000 0.00000000 0.49964586 1.0 Ir Ir9 1 0.17018887 0.34037774 0.75144340 1.0 Ir Ir10 1 0.17018987 0.82981013 0.75144340 1.0 Ir Ir11 1 0.65962026 0.82981013 0.75144340 1.0