# generated using pymatgen data_Ca4Nd16(Ga3Pb)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.03850884 _cell_length_b 8.03850884 _cell_length_c 14.47476928 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca4Nd16(Ga3Pb)3 _chemical_formula_sum 'Ca4 Nd16 Ga9 Pb3' _cell_volume 935.32520423 _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 0.50000000 0.50000000 0.75630211 1.0 Ca Ca1 1 0.00000000 0.00000000 0.24787252 1.0 Ca Ca2 1 0.00000000 0.00000000 0.75212748 1.0 Ca Ca3 1 0.50000000 0.50000000 0.24369789 1.0 Nd Nd4 1 0.67655781 0.16587336 0.10410727 1.0 Nd Nd5 1 0.16977424 0.66861396 0.60845766 1.0 Nd Nd6 1 0.32344219 0.83412664 0.10410727 1.0 Nd Nd7 1 0.83022576 0.33138604 0.60845766 1.0 Nd Nd8 1 0.83412664 0.67655781 0.10410727 1.0 Nd Nd9 1 0.33138604 0.16977424 0.60845766 1.0 Nd Nd10 1 0.16587336 0.32344219 0.10410727 1.0 Nd Nd11 1 0.66861396 0.83022576 0.60845766 1.0 Nd Nd12 1 0.83412664 0.32344219 0.89589273 1.0 Nd Nd13 1 0.33138604 0.83022576 0.39154234 1.0 Nd Nd14 1 0.16587336 0.67655781 0.89589273 1.0 Nd Nd15 1 0.66861396 0.16977424 0.39154234 1.0 Nd Nd16 1 0.67655781 0.83412664 0.89589273 1.0 Nd Nd17 1 0.16977424 0.33138604 0.39154234 1.0 Nd Nd18 1 0.32344219 0.16587336 0.89589273 1.0 Nd Nd19 1 0.83022576 0.66861396 0.39154234 1.0 Ga Ga20 1 0.61742917 0.11795154 0.75116727 1.0 Ga Ga21 1 0.11795154 0.61742917 0.24883273 1.0 Ga Ga22 1 0.88204846 0.38257083 0.24883273 1.0 Ga Ga23 1 0.38257083 0.88204846 0.75116727 1.0 Ga Ga24 1 0.88204846 0.61742917 0.75116727 1.0 Ga Ga25 1 0.38257083 0.11795154 0.24883273 1.0 Ga Ga26 1 0.11795154 0.38257083 0.75116727 1.0 Ga Ga27 1 0.61742917 0.88204846 0.24883273 1.0 Ga Ga28 1 0.00000000 0.00000000 0.00000000 1.0 Pb Pb29 1 0.50000000 0.50000000 0.50000000 1.0 Pb Pb30 1 0.50000000 0.50000000 0.00000000 1.0 Pb Pb31 1 0.00000000 0.00000000 0.50000000 1.0