# generated using pymatgen data_Nd5Zr3(Ni4As3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.83739732 _cell_length_b 12.83739732 _cell_length_c 4.00226200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999649 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd5Zr3(Ni4As3)4 _chemical_formula_sum 'Nd5 Zr3 Ni16 As12' _cell_volume 571.20253773 _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 Nd Nd0 1 0.00000000 0.18714700 0.50000000 1.0 Nd Nd1 1 0.81285300 0.81285300 0.50000000 1.0 Nd Nd2 1 0.18714700 0.00000000 0.50000000 1.0 Nd Nd3 1 0.66666700 0.33333300 0.00000000 1.0 Nd Nd4 1 0.33333300 0.66666700 0.00000000 1.0 Zr Zr5 1 0.00000000 0.56626700 0.00000000 1.0 Zr Zr6 1 0.43373300 0.43373300 0.00000000 1.0 Zr Zr7 1 0.56626700 0.00000000 0.00000000 1.0 Ni Ni8 1 0.00000000 0.72229100 0.50000000 1.0 Ni Ni9 1 0.27770900 0.27770900 0.50000000 1.0 Ni Ni10 1 0.72229100 0.00000000 0.50000000 1.0 Ni Ni11 1 0.80457500 0.18335800 0.00000000 1.0 Ni Ni12 1 0.81664200 0.62121700 0.00000000 1.0 Ni Ni13 1 0.37878300 0.19542500 0.00000000 1.0 Ni Ni14 1 0.18335800 0.80457500 0.00000000 1.0 Ni Ni15 1 0.62121700 0.81664200 0.00000000 1.0 Ni Ni16 1 0.19542500 0.37878300 0.00000000 1.0 Ni Ni17 1 0.88112700 0.36386300 0.50000000 1.0 Ni Ni18 1 0.63613700 0.51726400 0.50000000 1.0 Ni Ni19 1 0.48273600 0.11887300 0.50000000 1.0 Ni Ni20 1 0.36386300 0.88112700 0.50000000 1.0 Ni Ni21 1 0.51726400 0.63613700 0.50000000 1.0 Ni Ni22 1 0.11887300 0.48273600 0.50000000 1.0 Ni Ni23 1 0.00000000 0.00000000 0.00000000 1.0 As As24 1 0.00000000 0.81922500 0.00000000 1.0 As As25 1 0.18077500 0.18077500 0.00000000 1.0 As As26 1 0.81922500 0.00000000 0.00000000 1.0 As As27 1 0.69578300 0.17208400 0.50000000 1.0 As As28 1 0.82791600 0.52369900 0.50000000 1.0 As As29 1 0.47630100 0.30421700 0.50000000 1.0 As As30 1 0.17208400 0.69578300 0.50000000 1.0 As As31 1 0.52369900 0.82791600 0.50000000 1.0 As As32 1 0.30421700 0.47630100 0.50000000 1.0 As As33 1 0.00000000 0.35958200 0.00000000 1.0 As As34 1 0.64041800 0.64041800 0.00000000 1.0 As As35 1 0.35958200 0.00000000 0.00000000 1.0