# generated using pymatgen data_Sm5Zr3(Ni4As3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.89799447 _cell_length_b 12.89799447 _cell_length_c 4.00024600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000239 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm5Zr3(Ni4As3)4 _chemical_formula_sum 'Sm5 Zr3 Ni16 As12' _cell_volume 576.31734893 _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 Sm Sm0 1 0.81497400 0.00000000 0.50000000 1.0 Sm Sm1 1 0.00000000 0.81497400 0.50000000 1.0 Sm Sm2 1 0.18502600 0.18502600 0.50000000 1.0 Sm Sm3 1 0.33333300 0.66666700 0.00000000 1.0 Sm Sm4 1 0.66666700 0.33333300 0.00000000 1.0 Zr Zr5 1 0.43518900 0.00000000 0.00000000 1.0 Zr Zr6 1 0.00000000 0.43518900 0.00000000 1.0 Zr Zr7 1 0.56481100 0.56481100 0.00000000 1.0 Ni Ni8 1 0.27631400 0.00000000 0.50000000 1.0 Ni Ni9 1 0.00000000 0.27631400 0.50000000 1.0 Ni Ni10 1 0.72368600 0.72368600 0.50000000 1.0 Ni Ni11 1 0.62211400 0.80625900 0.00000000 1.0 Ni Ni12 1 0.19374100 0.81585500 0.00000000 1.0 Ni Ni13 1 0.18414500 0.37788600 0.00000000 1.0 Ni Ni14 1 0.37788600 0.18414500 0.00000000 1.0 Ni Ni15 1 0.80625900 0.62211400 0.00000000 1.0 Ni Ni16 1 0.81585500 0.19374100 0.00000000 1.0 Ni Ni17 1 0.51702900 0.88017100 0.50000000 1.0 Ni Ni18 1 0.11982900 0.63685700 0.50000000 1.0 Ni Ni19 1 0.36314300 0.48297100 0.50000000 1.0 Ni Ni20 1 0.48297100 0.36314300 0.50000000 1.0 Ni Ni21 1 0.88017100 0.51702900 0.50000000 1.0 Ni Ni22 1 0.63685700 0.11982900 0.50000000 1.0 Ni Ni23 1 0.00000000 0.00000000 0.00000000 1.0 As As24 1 0.17949200 0.00000000 0.00000000 1.0 As As25 1 0.00000000 0.17949200 0.00000000 1.0 As As26 1 0.82050800 0.82050800 0.00000000 1.0 As As27 1 0.52286000 0.69445800 0.50000000 1.0 As As28 1 0.30554200 0.82840200 0.50000000 1.0 As As29 1 0.17159800 0.47714000 0.50000000 1.0 As As30 1 0.47714000 0.17159800 0.50000000 1.0 As As31 1 0.69445800 0.52286000 0.50000000 1.0 As As32 1 0.82840200 0.30554200 0.50000000 1.0 As As33 1 0.64196900 0.00000000 0.00000000 1.0 As As34 1 0.00000000 0.64196900 0.00000000 1.0 As As35 1 0.35803100 0.35803100 0.00000000 1.0