# generated using pymatgen data_Nd3ZrSb5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.61028807 _cell_length_b 9.61028669 _cell_length_c 6.25220446 _cell_angle_alpha 90.00003740 _cell_angle_beta 89.99997243 _cell_angle_gamma 119.99994637 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd3ZrSb5 _chemical_formula_sum 'Nd6 Zr2 Sb10' _cell_volume 500.07689317 _cell_formula_units_Z 2 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 0.61938062 -0.00000001 0.25000016 1.0 Nd Nd1 1 0.38061937 0.00000007 0.74999978 1.0 Nd Nd2 1 0.00000010 0.61938065 0.25000010 1.0 Nd Nd3 1 -0.00000037 0.38061924 0.74999996 1.0 Nd Nd4 1 0.38061949 0.38061938 0.25000008 1.0 Nd Nd5 1 0.61938079 0.61938081 0.74999994 1.0 Zr Zr6 1 -0.00000003 -0.00000008 0.00000024 1.0 Zr Zr7 1 0.00000003 0.00000010 0.49999990 1.0 Sb Sb8 1 0.26239187 -0.00000040 0.24999998 1.0 Sb Sb9 1 0.73760807 0.00000020 0.74999988 1.0 Sb Sb10 1 -0.00000043 0.26239165 0.25000010 1.0 Sb Sb11 1 0.00000042 0.73760828 0.74999995 1.0 Sb Sb12 1 0.73760825 0.73760824 0.25000009 1.0 Sb Sb13 1 0.26239162 0.26239279 0.74999993 1.0 Sb Sb14 1 0.33333276 0.66666769 -0.00000004 1.0 Sb Sb15 1 0.66666736 0.33333234 0.00000004 1.0 Sb Sb16 1 0.66666736 0.33333231 0.49999995 1.0 Sb Sb17 1 0.33333273 0.66666775 0.49999996 1.0