# generated using pymatgen data_Sc3AlNi3P2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.29565253 _cell_length_b 6.29565442 _cell_length_c 3.77977226 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001096 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3AlNi3P2 _chemical_formula_sum 'Sc3 Al1 Ni3 P2' _cell_volume 129.74118136 _cell_formula_units_Z 1 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 0.00000000 0.43294413 0.50000000 1.0 Sc Sc1 1 0.56705587 0.56705587 0.50000000 1.0 Sc Sc2 1 0.43294413 0.00000000 0.50000000 1.0 Al Al3 1 0.00000000 0.00000000 0.50000000 1.0 Ni Ni4 1 0.00000000 0.74810042 0.00000000 1.0 Ni Ni5 1 0.25189958 0.25189958 0.00000000 1.0 Ni Ni6 1 0.74810042 0.00000000 0.00000000 1.0 P P7 1 0.66666700 0.33333300 0.00000000 1.0 P P8 1 0.33333300 0.66666700 0.00000000 1.0