# CIF generated by HEAS from Alexandria entry agm045705698 data_agm045705698 _cell_length_a 10.73187 _cell_length_b 10.73187 _cell_length_c 10.73187 _cell_angle_alpha 109.47122 _cell_angle_beta 109.47122 _cell_angle_gamma 109.47122 _cell_volume 951.48984 _symmetry_space_group_name_H-M 'P 1' _symmetry_Int_Tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nd1 Nd 0.47775 0.22775 0.45550 1.00000 Nd2 Nd 0.22775 0.27225 0.75000 1.00000 Nd3 Nd 0.02225 0.47775 0.75000 1.00000 Nd4 Nd 0.45550 0.47775 0.22775 1.00000 Nd5 Nd 0.75000 0.22775 0.27225 1.00000 Nd6 Nd 0.27225 0.02225 0.04450 1.00000 Nd7 Nd 0.04450 0.27225 0.02225 1.00000 Nd8 Nd 0.75000 0.02225 0.47775 1.00000 Nd9 Nd 0.22775 0.45550 0.47775 1.00000 Nd10 Nd 0.47775 0.75000 0.02225 1.00000 Nd11 Nd 0.02225 0.04450 0.27225 1.00000 Nd12 Nd 0.27225 0.75000 0.22775 1.00000 Ni1 Ni 0.25000 0.25000 0.25000 1.00000 Ni2 Ni 0.00000 0.25000 0.50000 1.00000 Ni3 Ni 0.25000 0.50000 0.00000 1.00000 Ni4 Ni 0.50000 0.00000 0.25000 1.00000 I1 I 0.75955 0.74045 0.25000 1.00000 I2 I 0.50955 0.75955 0.51910 1.00000 I3 I 0.74045 0.99045 0.98090 1.00000 I4 I 0.25000 0.75955 0.74045 1.00000 I5 I 0.98090 0.74045 0.99045 1.00000 I6 I 0.99045 0.50955 0.25000 1.00000 I7 I 0.51910 0.50955 0.75955 1.00000 I8 I 0.25000 0.99045 0.50955 1.00000 I9 I 0.74045 0.25000 0.75955 1.00000 I10 I 0.99045 0.98090 0.74045 1.00000 I11 I 0.50955 0.25000 0.99045 1.00000 I12 I 0.75955 0.51910 0.50955 1.00000