# generated using pymatgen data_Y5Sc3(Ni4As3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.65098959 _cell_length_b 12.65098906 _cell_length_c 3.90719400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000392 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y5Sc3(Ni4As3)4 _chemical_formula_sum 'Y5 Sc3 Ni16 As12' _cell_volume 541.55749255 _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 Y Y0 1 0.18504417 0.18504417 0.50000000 1.0 Y Y1 1 0.81495583 0.00000000 0.50000000 1.0 Y Y2 1 0.00000000 0.81495583 0.50000000 1.0 Y Y3 1 0.33333300 0.66666700 0.00000000 1.0 Y Y4 1 0.66666700 0.33333300 0.00000000 1.0 Sc Sc5 1 0.56671829 0.56671829 0.00000000 1.0 Sc Sc6 1 0.43328171 1.00000000 0.00000000 1.0 Sc Sc7 1 1.00000000 0.43328171 0.00000000 1.0 Ni Ni8 1 0.72223180 0.72223180 0.50000000 1.0 Ni Ni9 1 0.27776820 0.00000000 0.50000000 1.0 Ni Ni10 1 0.00000000 0.27776820 0.50000000 1.0 Ni Ni11 1 0.18630227 0.37937692 0.00000000 1.0 Ni Ni12 1 0.62062308 0.80692534 0.00000000 1.0 Ni Ni13 1 0.19307466 0.81369773 0.00000000 1.0 Ni Ni14 1 0.80692534 0.62062308 0.00000000 1.0 Ni Ni15 1 0.81369773 0.19307466 0.00000000 1.0 Ni Ni16 1 0.37937692 0.18630227 0.00000000 1.0 Ni Ni17 1 0.36210244 0.48271301 0.50000000 1.0 Ni Ni18 1 0.51728699 0.87939043 0.50000000 1.0 Ni Ni19 1 0.12060957 0.63789756 0.50000000 1.0 Ni Ni20 1 0.87939043 0.51728699 0.50000000 1.0 Ni Ni21 1 0.63789756 0.12060957 0.50000000 1.0 Ni Ni22 1 0.48271301 0.36210244 0.50000000 1.0 Ni Ni23 1 0.00000000 0.00000000 0.00000000 1.0 As As24 1 0.82150154 0.82150154 0.00000000 1.0 As As25 1 0.17849846 0.00000000 0.00000000 1.0 As As26 1 0.00000000 0.17849846 0.00000000 1.0 As As27 1 0.17172544 0.47800894 0.50000000 1.0 As As28 1 0.52199106 0.69371650 0.50000000 1.0 As As29 1 0.30628350 0.82827456 0.50000000 1.0 As As30 1 0.69371650 0.52199106 0.50000000 1.0 As As31 1 0.82827456 0.30628350 0.50000000 1.0 As As32 1 0.47800894 0.17172544 0.50000000 1.0 As As33 1 0.35760803 0.35760803 0.00000000 1.0 As As34 1 0.64239197 0.00000000 0.00000000 1.0 As As35 1 0.00000000 0.64239197 0.00000000 1.0