# generated using pymatgen data_Lu5Zr3(Ni4As3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88300900 _cell_length_b 12.73027564 _cell_length_c 12.73060332 _cell_angle_alpha 119.99914502 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu5Zr3(Ni4As3)4 _chemical_formula_sum 'Lu5 Zr3 Ni16 As12' _cell_volume 544.99129281 _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 Lu Lu0 1 0.50000000 0.00000200 0.18100000 1.0 Lu Lu1 1 0.50000000 0.18100200 0.00000000 1.0 Lu Lu2 1 0.50000000 0.81900200 0.81900000 1.0 Lu Lu3 1 0.00000000 0.33330200 0.66669000 1.0 Lu Lu4 1 0.00000000 0.66661200 0.33331000 1.0 Zr Zr5 1 0.00000000 0.99999300 0.56235800 1.0 Zr Zr6 1 0.00000000 0.56236900 0.00000000 1.0 Zr Zr7 1 0.00000000 0.43763500 0.43764200 1.0 Ni Ni8 1 0.50000000 0.99999700 0.72322800 1.0 Ni Ni9 1 0.50000000 0.72323100 0.00000000 1.0 Ni Ni10 1 0.50000000 0.27676900 0.27677200 1.0 Ni Ni11 1 0.00000000 0.19110500 0.37298700 1.0 Ni Ni12 1 0.00000000 0.18190200 0.80891500 1.0 Ni Ni13 1 0.00000000 0.62700000 0.81810100 1.0 Ni Ni14 1 0.00000000 0.81811800 0.62701300 1.0 Ni Ni15 1 0.00000000 0.37298700 0.19108500 1.0 Ni Ni16 1 0.00000000 0.80889900 0.18189900 1.0 Ni Ni17 1 0.50000000 0.12206900 0.48203200 1.0 Ni Ni18 1 0.50000000 0.35995600 0.87792700 1.0 Ni Ni19 1 0.50000000 0.51796400 0.64005200 1.0 Ni Ni20 1 0.50000000 0.64003800 0.51796800 1.0 Ni Ni21 1 0.50000000 0.48202900 0.12207300 1.0 Ni Ni22 1 0.50000000 0.87791200 0.35994800 1.0 Ni Ni23 1 0.00000000 0.00000200 0.00000000 1.0 As As24 1 0.00000000 0.00000300 0.82337300 1.0 As As25 1 0.00000000 0.82338300 0.00000000 1.0 As As26 1 0.00000000 0.17663100 0.17662700 1.0 As As27 1 0.50000000 0.30825000 0.48147100 1.0 As As28 1 0.50000000 0.17320800 0.69174400 1.0 As As29 1 0.50000000 0.51853100 0.82678400 1.0 As As30 1 0.50000000 0.82677900 0.51852900 1.0 As As31 1 0.50000000 0.48146400 0.30825600 1.0 As As32 1 0.50000000 0.69174700 0.17321600 1.0 As As33 1 0.00000000 0.00000600 0.35384900 1.0 As As34 1 0.00000000 0.35384700 0.00000000 1.0 As As35 1 0.00000000 0.64615700 0.64615100 1.0