# generated using pymatgen data_CaNd8HoIr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.17252807 _cell_length_b 11.17252807 _cell_length_c 6.50608572 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaNd8HoIr6 _chemical_formula_sum 'Ca2 Nd16 Ho2 Ir12' _cell_volume 812.12464480 _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 0.00000000 0.00000000 0.50000000 1.0 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1.0 Nd Nd2 1 0.28986288 0.08850023 0.38881645 1.0 Nd Nd3 1 0.28986288 0.91149977 0.88881645 1.0 Nd Nd4 1 0.71013712 0.08850023 0.88881645 1.0 Nd Nd5 1 0.71013712 0.91149977 0.38881645 1.0 Nd Nd6 1 0.58832004 0.78892928 0.88844450 1.0 Nd Nd7 1 0.58832004 0.21107072 0.38844450 1.0 Nd Nd8 1 0.41167996 0.78892928 0.38844450 1.0 Nd Nd9 1 0.41167996 0.21107072 0.88844450 1.0 Nd Nd10 1 0.21107072 0.41167996 0.61155550 1.0 Nd Nd11 1 0.21107072 0.58832004 0.11155550 1.0 Nd Nd12 1 0.78892928 0.41167996 0.11155550 1.0 Nd Nd13 1 0.78892928 0.58832004 0.61155550 1.0 Nd Nd14 1 0.91149977 0.71013712 0.11118355 1.0 Nd Nd15 1 0.91149977 0.28986288 0.61118355 1.0 Nd Nd16 1 0.08850023 0.71013712 0.61118355 1.0 Nd Nd17 1 0.08850023 0.28986288 0.11118355 1.0 Ho Ho18 1 0.50000000 0.50000000 0.00000000 1.0 Ho Ho19 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir20 1 0.84132296 0.15867704 0.25000000 1.0 Ir Ir21 1 0.84132296 0.84132296 0.75000000 1.0 Ir Ir22 1 0.15867704 0.15867704 0.75000000 1.0 Ir Ir23 1 0.15867704 0.84132296 0.25000000 1.0 Ir Ir24 1 0.64772937 0.35227063 0.75000000 1.0 Ir Ir25 1 0.64772937 0.64772937 0.25000000 1.0 Ir Ir26 1 0.35227063 0.35227063 0.25000000 1.0 Ir Ir27 1 0.35227063 0.64772937 0.75000000 1.0 Ir Ir28 1 0.50000000 0.00000000 0.12393339 1.0 Ir Ir29 1 0.50000000 0.00000000 0.62393339 1.0 Ir Ir30 1 0.00000000 0.50000000 0.87606661 1.0 Ir Ir31 1 0.00000000 0.50000000 0.37606661 1.0