# generated using pymatgen data_SmCo3P2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.74557200 _cell_length_b 10.61547100 _cell_length_c 12.29569600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmCo3P2 _chemical_formula_sum 'Sm6 Co18 P12' _cell_volume 488.88930323 _cell_formula_units_Z 6 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 0.00000000 0.50000000 0.52357600 1.0 Sm Sm1 1 0.50000000 0.00000000 0.47642400 1.0 Sm Sm2 1 0.50000000 0.81628700 0.20559000 1.0 Sm Sm3 1 0.50000000 0.18371300 0.20559000 1.0 Sm Sm4 1 0.00000000 0.68371300 0.79441000 1.0 Sm Sm5 1 0.00000000 0.31628700 0.79441000 1.0 Co Co6 1 0.50000000 0.50000000 0.15844900 1.0 Co Co7 1 0.00000000 0.00000000 0.84155100 1.0 Co Co8 1 0.50000000 0.50000000 0.70324800 1.0 Co Co9 1 0.00000000 0.00000000 0.29675200 1.0 Co Co10 1 0.00000000 0.50000000 0.98636000 1.0 Co Co11 1 0.50000000 0.00000000 0.01364000 1.0 Co Co12 1 0.50000000 0.33354100 0.99437700 1.0 Co Co13 1 0.50000000 0.66645900 0.99437700 1.0 Co Co14 1 0.00000000 0.16645900 0.00562300 1.0 Co Co15 1 0.00000000 0.83354100 0.00562300 1.0 Co Co16 1 0.50000000 0.29599500 0.43127100 1.0 Co Co17 1 0.50000000 0.70400500 0.43127100 1.0 Co Co18 1 0.00000000 0.20400500 0.56872900 1.0 Co Co19 1 0.00000000 0.79599500 0.56872900 1.0 Co Co20 1 0.50000000 0.88052400 0.70827400 1.0 Co Co21 1 0.50000000 0.11947600 0.70827400 1.0 Co Co22 1 0.00000000 0.61947600 0.29172600 1.0 Co Co23 1 0.00000000 0.38052400 0.29172600 1.0 P P24 1 0.50000000 0.50000000 0.88425200 1.0 P P25 1 0.00000000 0.00000000 0.11574800 1.0 P P26 1 0.50000000 0.50000000 0.34312300 1.0 P P27 1 0.00000000 0.00000000 0.65687700 1.0 P P28 1 0.50000000 0.30798800 0.61464700 1.0 P P29 1 0.50000000 0.69201200 0.61464700 1.0 P P30 1 0.00000000 0.19201200 0.38535300 1.0 P P31 1 0.00000000 0.80798800 0.38535300 1.0 P P32 1 0.50000000 0.84965700 0.89454200 1.0 P P33 1 0.50000000 0.15034300 0.89454200 1.0 P P34 1 0.00000000 0.65034300 0.10545800 1.0 P P35 1 0.00000000 0.34965700 0.10545800 1.0