# generated using pymatgen data_Nd3C3Cl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.86333013 _cell_length_b 6.76281775 _cell_length_c 7.59870780 _cell_angle_alpha 76.78258918 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd3C3Cl2 _chemical_formula_sum 'Nd12 C12 Cl8' _cell_volume 643.51848031 _cell_formula_units_Z 4 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 0.14788395 0.14152076 0.26908289 1.0 Nd Nd1 1 0.64788395 0.35847924 0.73091711 1.0 Nd Nd2 1 0.17996150 0.86653047 0.89437986 1.0 Nd Nd3 1 0.98884107 0.62670962 0.18743429 1.0 Nd Nd4 1 0.51115893 0.12670962 0.18743429 1.0 Nd Nd5 1 0.32003850 0.36653047 0.89437986 1.0 Nd Nd6 1 0.82003850 0.13346953 0.10562014 1.0 Nd Nd7 1 0.35211605 0.64152076 0.26908289 1.0 Nd Nd8 1 0.67996150 0.63346953 0.10562014 1.0 Nd Nd9 1 0.48884107 0.87329038 0.81256571 1.0 Nd Nd10 1 0.85211605 0.85847924 0.73091711 1.0 Nd Nd11 1 0.01115893 0.37329038 0.81256571 1.0 C C12 1 0.29607670 0.02470865 0.12660238 1.0 C C13 1 0.63249954 0.02494097 0.98731186 1.0 C C14 1 0.79607670 0.47529135 0.87339762 1.0 C C15 1 0.86750046 0.52494097 0.98731186 1.0 C C16 1 0.47027244 0.52881824 0.06125023 1.0 C C17 1 0.70392330 0.97529135 0.87339762 1.0 C C18 1 0.13249954 0.47505903 0.01268814 1.0 C C19 1 0.20392330 0.52470865 0.12660238 1.0 C C20 1 0.52972756 0.47118176 0.93874977 1.0 C C21 1 0.02972756 0.02881824 0.06125023 1.0 C C22 1 0.97027244 0.97118176 0.93874977 1.0 C C23 1 0.36750046 0.97505903 0.01268814 1.0 Cl Cl24 1 0.31145960 0.75114819 0.62564013 1.0 Cl Cl25 1 0.55533164 0.74413792 0.45122881 1.0 Cl Cl26 1 0.44466836 0.25586208 0.54877119 1.0 Cl Cl27 1 0.18854040 0.25114819 0.62564013 1.0 Cl Cl28 1 0.94466836 0.24413792 0.45122881 1.0 Cl Cl29 1 0.81145960 0.74885181 0.37435987 1.0 Cl Cl30 1 0.05533164 0.75586208 0.54877119 1.0 Cl Cl31 1 0.68854040 0.24885181 0.37435987 1.0