# generated using pymatgen data_ScNbCo4P3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.90269355 _cell_length_b 11.90269366 _cell_length_c 3.60120073 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.95862344 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScNbCo4P3 _chemical_formula_sum 'Sc4 Nb4 Co16 P12' _cell_volume 442.02760520 _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 Sc Sc0 1 0.82234907 0.99873563 0.50000000 1.0 Sc Sc1 1 0.99873563 0.82234907 0.50000000 1.0 Sc Sc2 1 0.33387525 0.66704055 0.00000000 1.0 Sc Sc3 1 0.66704055 0.33387525 0.00000000 1.0 Nb Nb4 1 0.18100142 0.18100142 0.50000000 1.0 Nb Nb5 1 0.44689610 0.00041172 0.00000000 1.0 Nb Nb6 1 0.00041172 0.44689610 0.00000000 1.0 Nb Nb7 1 0.55225379 0.55225379 0.00000000 1.0 Co Co8 1 0.27888085 0.00307835 0.50000000 1.0 Co Co9 1 0.00307835 0.27888085 0.50000000 1.0 Co Co10 1 0.72043511 0.72043511 0.50000000 1.0 Co Co11 1 0.62852485 0.80501150 0.00000000 1.0 Co Co12 1 0.19489886 0.82454034 0.00000000 1.0 Co Co13 1 0.17564738 0.36809074 0.00000000 1.0 Co Co14 1 0.36809074 0.17564738 0.00000000 1.0 Co Co15 1 0.80501150 0.62852485 0.00000000 1.0 Co Co16 1 0.82454034 0.19489886 0.00000000 1.0 Co Co17 1 0.51774441 0.87115273 0.50000000 1.0 Co Co18 1 0.12930924 0.64765072 0.50000000 1.0 Co Co19 1 0.35054133 0.47876610 0.50000000 1.0 Co Co20 1 0.47876610 0.35054133 0.50000000 1.0 Co Co21 1 0.87115273 0.51774441 0.50000000 1.0 Co Co22 1 0.64765072 0.12930924 0.50000000 1.0 Co Co23 1 0.00191802 0.00191802 0.00000000 1.0 P P24 1 0.17400042 0.99949592 0.00000000 1.0 P P25 1 0.99949592 0.17400042 0.00000000 1.0 P P26 1 0.82624376 0.82624376 0.00000000 1.0 P P27 1 0.51732663 0.68789524 0.50000000 1.0 P P28 1 0.31172289 0.83001780 0.50000000 1.0 P P29 1 0.17114666 0.48367670 0.50000000 1.0 P P30 1 0.48367670 0.17114666 0.50000000 1.0 P P31 1 0.68789524 0.51732663 0.50000000 1.0 P P32 1 0.83001780 0.31172289 0.50000000 1.0 P P33 1 0.65027132 0.99984114 0.00000000 1.0 P P34 1 0.99984114 0.65027132 0.00000000 1.0 P P35 1 0.34961049 0.34961049 0.00000000 1.0