# generated using pymatgen data_Sc3V(Ni4P3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61912284 _cell_length_b 10.40511459 _cell_length_c 12.03088875 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3V(Ni4P3)2 _chemical_formula_sum 'Sc6 V2 Ni16 P12' _cell_volume 453.05184430 _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 Sc Sc0 1 0.75181699 0.00000000 0.47498652 1.0 Sc Sc1 1 0.25181699 0.50000000 0.52501348 1.0 Sc Sc2 1 0.25175249 0.68005204 0.79301700 1.0 Sc Sc3 1 0.25175249 0.31994796 0.79301700 1.0 Sc Sc4 1 0.75175249 0.81994796 0.20698300 1.0 Sc Sc5 1 0.75175249 0.18005204 0.20698300 1.0 V V6 1 0.25171429 0.00000000 0.84457205 1.0 V V7 1 0.75171429 0.50000000 0.15542795 1.0 Ni Ni8 1 0.75171385 0.00000000 0.01485090 1.0 Ni Ni9 1 0.25171385 0.50000000 0.98514910 1.0 Ni Ni10 1 0.25192901 0.19789392 0.56922734 1.0 Ni Ni11 1 0.25192901 0.80210608 0.56922734 1.0 Ni Ni12 1 0.75192901 0.30210608 0.43077266 1.0 Ni Ni13 1 0.75192901 0.69789392 0.43077266 1.0 Ni Ni14 1 0.25203729 0.62360400 0.29299315 1.0 Ni Ni15 1 0.25203729 0.37639600 0.29299315 1.0 Ni Ni16 1 0.75203729 0.87639600 0.70700685 1.0 Ni Ni17 1 0.75203729 0.12360400 0.70700685 1.0 Ni Ni18 1 0.25180366 0.16631303 0.01223698 1.0 Ni Ni19 1 0.25180366 0.83368697 0.01223698 1.0 Ni Ni20 1 0.75180366 0.33368697 0.98776302 1.0 Ni Ni21 1 0.75180366 0.66631303 0.98776302 1.0 Ni Ni22 1 0.25197065 0.00000000 0.29981743 1.0 Ni Ni23 1 0.75197065 0.50000000 0.70018257 1.0 P P24 1 0.25181579 0.18227075 0.38384258 1.0 P P25 1 0.25181579 0.81772925 0.38384258 1.0 P P26 1 0.75181579 0.31772925 0.61615742 1.0 P P27 1 0.75181579 0.68227075 0.61615742 1.0 P P28 1 0.25180731 0.00000000 0.12460108 1.0 P P29 1 0.75180731 0.50000000 0.87539892 1.0 P P30 1 0.25165087 0.65641119 0.11099573 1.0 P P31 1 0.25165087 0.34358881 0.11099573 1.0 P P32 1 0.75165087 0.84358881 0.88900427 1.0 P P33 1 0.75165087 0.15641119 0.88900427 1.0 P P34 1 0.25180169 0.00000000 0.64815955 1.0 P P35 1 0.75180169 0.50000000 0.35184045 1.0