# CIF generated by HEAS from Alexandria entry agm005100697 data_agm005100697 _cell_length_a 4.66136 _cell_length_b 5.08073 _cell_length_c 5.08073 _cell_angle_alpha 120.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 104.20676 _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 Mg1 Mg 0.50000 0.00000 0.00000 1.00000 Pa1 Pa 0.00000 0.33333 0.66667 1.00000 Ni1 Ni 0.50000 0.66667 0.33333 1.00000 O1 O 0.72888 0.66947 0.64047 1.00000 O2 O 0.72888 0.35953 0.02900 1.00000 O3 O 0.72888 0.97100 0.33053 1.00000 O4 O 0.27112 0.35953 0.33053 1.00000 O5 O 0.27112 0.66947 0.02900 1.00000 O6 O 0.27112 0.97100 0.64047 1.00000