# generated using pymatgen data_Sc2Ni4P3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.10363211 _cell_length_b 12.10363225 _cell_length_c 3.68408520 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000504 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2Ni4P3 _chemical_formula_sum 'Sc8 Ni16 P12' _cell_volume 467.40323022 _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 0.18047123 0.18047123 0.50000000 1.0 Sc Sc1 1 0.81952877 0.00000000 0.50000000 1.0 Sc Sc2 1 0.00000000 0.81952877 0.50000000 1.0 Sc Sc3 1 0.33333300 0.66666700 0.00000000 1.0 Sc Sc4 1 0.66666700 0.33333300 0.00000000 1.0 Sc Sc5 1 0.55981164 0.55981164 0.00000000 1.0 Sc Sc6 1 0.44018836 1.00000000 0.00000000 1.0 Sc Sc7 1 1.00000000 0.44018836 0.00000000 1.0 Ni Ni8 1 0.72470892 0.72470892 0.50000000 1.0 Ni Ni9 1 0.27529108 0.00000000 0.50000000 1.0 Ni Ni10 1 0.00000000 0.27529108 0.50000000 1.0 Ni Ni11 1 0.18404388 0.37573018 0.00000000 1.0 Ni Ni12 1 0.62426982 0.80831369 0.00000000 1.0 Ni Ni13 1 0.19168631 0.81595612 0.00000000 1.0 Ni Ni14 1 0.80831369 0.62426982 0.00000000 1.0 Ni Ni15 1 0.81595612 0.19168631 0.00000000 1.0 Ni Ni16 1 0.37573018 0.18404388 0.00000000 1.0 Ni Ni17 1 0.35923301 0.48377768 0.50000000 1.0 Ni Ni18 1 0.51622232 0.87545633 0.50000000 1.0 Ni Ni19 1 0.12454367 0.64076699 0.50000000 1.0 Ni Ni20 1 0.87545633 0.51622232 0.50000000 1.0 Ni Ni21 1 0.64076699 0.12454367 0.50000000 1.0 Ni Ni22 1 0.48377768 0.35923301 0.50000000 1.0 Ni Ni23 1 0.00000000 0.00000000 0.00000000 1.0 P P24 1 0.82422519 0.82422519 0.00000000 1.0 P P25 1 0.17577481 0.00000000 0.00000000 1.0 P P26 1 0.00000000 0.17577481 0.00000000 1.0 P P27 1 0.17277937 0.48010928 0.50000000 1.0 P P28 1 0.51989072 0.69267109 0.50000000 1.0 P P29 1 0.30732891 0.82722063 0.50000000 1.0 P P30 1 0.69267109 0.51989072 0.50000000 1.0 P P31 1 0.82722063 0.30732891 0.50000000 1.0 P P32 1 0.48010928 0.17277937 0.50000000 1.0 P P33 1 0.34916317 0.34916317 0.00000000 1.0 P P34 1 0.65083683 0.00000000 0.00000000 1.0 P P35 1 0.00000000 0.65083683 0.00000000 1.0