# generated using pymatgen data_LiSm3(P3Rh4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95280159 _cell_length_b 11.21660413 _cell_length_c 12.72693987 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiSm3(P3Rh4)2 _chemical_formula_sum 'Li2 Sm6 P12 Rh16' _cell_volume 564.27446759 _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 Li Li0 1 0.50000000 0.50000000 0.15513541 1.0 Li Li1 1 0.00000000 0.00000000 0.84486459 1.0 Sm Sm2 1 0.00000000 0.50000000 0.51681578 1.0 Sm Sm3 1 0.50000000 0.00000000 0.48318422 1.0 Sm Sm4 1 0.50000000 0.81987401 0.20596751 1.0 Sm Sm5 1 0.50000000 0.18012599 0.20596751 1.0 Sm Sm6 1 0.00000000 0.68012599 0.79403249 1.0 Sm Sm7 1 0.00000000 0.31987401 0.79403249 1.0 P P8 1 0.50000000 0.50000000 0.88485299 1.0 P P9 1 0.00000000 0.00000000 0.11514701 1.0 P P10 1 0.50000000 0.50000000 0.34277848 1.0 P P11 1 0.00000000 0.00000000 0.65722152 1.0 P P12 1 0.50000000 0.30988250 0.61681275 1.0 P P13 1 0.50000000 0.69011750 0.61681275 1.0 P P14 1 0.00000000 0.19011750 0.38318725 1.0 P P15 1 0.00000000 0.80988250 0.38318725 1.0 P P16 1 0.50000000 0.84245309 0.89219381 1.0 P P17 1 0.50000000 0.15754691 0.89219381 1.0 P P18 1 0.00000000 0.65754691 0.10780619 1.0 P P19 1 0.00000000 0.34245309 0.10780619 1.0 Rh Rh20 1 0.50000000 0.50000000 0.70300402 1.0 Rh Rh21 1 0.00000000 0.00000000 0.29699598 1.0 Rh Rh22 1 0.00000000 0.50000000 0.98738545 1.0 Rh Rh23 1 0.50000000 0.00000000 0.01261455 1.0 Rh Rh24 1 0.50000000 0.33281272 0.99613956 1.0 Rh Rh25 1 0.50000000 0.66718728 0.99613956 1.0 Rh Rh26 1 0.00000000 0.16718728 0.00386044 1.0 Rh Rh27 1 0.00000000 0.83281272 0.00386044 1.0 Rh Rh28 1 0.50000000 0.29344283 0.43100970 1.0 Rh Rh29 1 0.50000000 0.70655717 0.43100970 1.0 Rh Rh30 1 0.00000000 0.20655717 0.56899030 1.0 Rh Rh31 1 0.00000000 0.79344283 0.56899030 1.0 Rh Rh32 1 0.50000000 0.87465257 0.71035034 1.0 Rh Rh33 1 0.50000000 0.12534743 0.71035034 1.0 Rh Rh34 1 0.00000000 0.62534743 0.28964966 1.0 Rh Rh35 1 0.00000000 0.37465257 0.28964966 1.0