# generated using pymatgen data_Nd10B2I15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.85678883 _cell_length_b 10.67829737 _cell_length_c 11.57571469 _cell_angle_alpha 91.57669988 _cell_angle_beta 114.41390928 _cell_angle_gamma 110.62038089 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd10B2I15 _chemical_formula_sum 'Nd10 B2 I15' _cell_volume 1016.72750159 _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 Nd Nd0 1 0.79267136 0.40059397 0.27258426 1.0 Nd Nd1 1 0.20732864 0.59940603 0.72741574 1.0 Nd Nd2 1 0.66685215 0.74934831 0.82209638 1.0 Nd Nd3 1 0.33314785 0.25065169 0.17790362 1.0 Nd Nd4 1 0.52374919 0.71114757 0.08938480 1.0 Nd Nd5 1 0.47625081 0.28885243 0.91061520 1.0 Nd Nd6 1 0.58321783 0.04066930 0.31560618 1.0 Nd Nd7 1 0.41678217 0.95933070 0.68439382 1.0 Nd Nd8 1 0.71388290 0.07144817 0.04649467 1.0 Nd Nd9 1 0.28611710 0.92855183 0.95350533 1.0 B B10 1 0.46606004 0.81731024 0.87467459 1.0 B B11 1 0.53393996 0.18268976 0.12532541 1.0 I I12 1 0.00000000 0.00000000 0.00000000 1.0 I I13 1 0.63950818 0.88359850 0.58015608 1.0 I I14 1 0.36049182 0.11640150 0.41984392 1.0 I I15 1 0.88489347 0.29892344 0.53393507 1.0 I I16 1 0.11510653 0.70107656 0.46606493 1.0 I I17 1 0.28015802 0.75778478 0.17830241 1.0 I I18 1 0.71984198 0.24221522 0.82169759 1.0 I I19 1 0.05935125 0.34155291 0.22748112 1.0 I I20 1 0.15437195 0.05573608 0.69981277 1.0 I I21 1 0.84562805 0.94426392 0.30018723 1.0 I I22 1 0.22556818 0.40860212 0.94168845 1.0 I I23 1 0.77443182 0.59139788 0.05831155 1.0 I I24 1 0.40813680 0.45726685 0.65804151 1.0 I I25 1 0.59186320 0.54273315 0.34195849 1.0 I I26 1 0.94064875 0.65844709 0.77251888 1.0