# CIF generated by HEAS from Alexandria entry agm002171984 data_agm002171984 _cell_length_a 5.40844 _cell_length_b 5.93456 _cell_length_c 7.68856 _cell_angle_alpha 90.00000 _cell_angle_beta 89.99988 _cell_angle_gamma 90.00000 _cell_volume 246.77754 _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 Ni1 Ni 0.00000 0.50000 0.00000 1.00000 Ni2 Ni 0.50000 0.00000 0.50000 1.00000 Ni3 Ni 0.00000 0.50000 0.50000 1.00000 Ni4 Ni 0.50000 0.00000 0.00000 1.00000 O1 O 0.68221 0.31304 0.44148 1.00000 O2 O 0.81779 0.81304 0.05852 1.00000 O3 O 0.31779 0.68696 0.55852 1.00000 O4 O 0.18221 0.18696 0.94148 1.00000 O5 O 0.18221 0.18696 0.55852 1.00000 O6 O 0.31779 0.68696 0.94148 1.00000 O7 O 0.81779 0.81304 0.44148 1.00000 O8 O 0.68221 0.31304 0.05852 1.00000 O9 O 0.11817 0.46001 0.25000 1.00000 O10 O 0.38183 0.96001 0.25000 1.00000 O11 O 0.88183 0.53999 0.75000 1.00000 O12 O 0.61817 0.03999 0.75000 1.00000 Th1 Th 0.47745 0.41572 0.75000 1.00000 Th2 Th 0.02255 0.91572 0.75000 1.00000 Th3 Th 0.52255 0.58428 0.25000 1.00000 Th4 Th 0.97745 0.08428 0.25000 1.00000