# generated using pymatgen data_Sm4C2Cl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73220674 _cell_length_b 10.82060339 _cell_length_c 20.12928985 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm4C2Cl3 _chemical_formula_sum 'Sm16 C8 Cl12' _cell_volume 812.91591277 _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 Sm Sm0 1 0.25000000 0.14037411 0.57194267 1.0 Sm Sm1 1 0.25000000 0.64037411 0.92805733 1.0 Sm Sm2 1 0.75000000 0.85962589 0.42805733 1.0 Sm Sm3 1 0.75000000 0.35962589 0.07194267 1.0 Sm Sm4 1 0.25000000 0.63674165 0.75555400 1.0 Sm Sm5 1 0.25000000 0.13674165 0.74444600 1.0 Sm Sm6 1 0.75000000 0.36325835 0.24444600 1.0 Sm Sm7 1 0.75000000 0.86325835 0.25555400 1.0 Sm Sm8 1 0.25000000 0.10216514 0.33395436 1.0 Sm Sm9 1 0.25000000 0.60216514 0.16604564 1.0 Sm Sm10 1 0.75000000 0.89783486 0.66604564 1.0 Sm Sm11 1 0.75000000 0.39783486 0.83395436 1.0 Sm Sm12 1 0.25000000 0.12303932 0.16423567 1.0 Sm Sm13 1 0.25000000 0.62303932 0.33576433 1.0 Sm Sm14 1 0.75000000 0.87696068 0.83576433 1.0 Sm Sm15 1 0.75000000 0.37696068 0.66423567 1.0 C C16 1 0.25000000 0.86358011 0.34867823 1.0 C C17 1 0.25000000 0.36358011 0.15132177 1.0 C C18 1 0.75000000 0.13641989 0.65132177 1.0 C C19 1 0.75000000 0.63641989 0.84867823 1.0 C C20 1 0.25000000 0.38785268 0.75106589 1.0 C C21 1 0.25000000 0.88785268 0.74893411 1.0 C C22 1 0.75000000 0.61214732 0.24893411 1.0 C C23 1 0.75000000 0.11214732 0.25106589 1.0 Cl Cl24 1 0.25000000 0.37940997 0.95300731 1.0 Cl Cl25 1 0.25000000 0.87940997 0.54699269 1.0 Cl Cl26 1 0.75000000 0.62059003 0.04699269 1.0 Cl Cl27 1 0.75000000 0.12059003 0.45300731 1.0 Cl Cl28 1 0.25000000 0.88813230 0.94501648 1.0 Cl Cl29 1 0.25000000 0.38813230 0.55498352 1.0 Cl Cl30 1 0.75000000 0.11186770 0.05498352 1.0 Cl Cl31 1 0.75000000 0.61186770 0.44501648 1.0 Cl Cl32 1 0.25000000 0.36156989 0.35462382 1.0 Cl Cl33 1 0.25000000 0.86156989 0.14537618 1.0 Cl Cl34 1 0.75000000 0.63843011 0.64537618 1.0 Cl Cl35 1 0.75000000 0.13843011 0.85462382 1.0