# CIF generated by HEAS from Alexandria entry agm004947653 data_agm004947653 _cell_length_a 5.72227 _cell_length_b 5.72242 _cell_length_c 5.90948 _cell_angle_alpha 61.03646 _cell_angle_beta 61.03855 _cell_angle_gamma 59.99718 _cell_volume 138.93397 _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 Pa1 Pa 0.81524 0.81524 0.55428 1.00000 Ti1 Ti 0.31149 0.31149 0.06553 1.00000 Hg1 Hg 0.56346 0.56343 0.30968 1.00000 Hg2 Hg 0.05817 0.05820 0.82542 1.00000 O1 O 0.55977 0.13094 0.28108 1.00000 O2 O 0.13097 0.02820 0.28123 1.00000 O3 O 0.02828 0.55961 0.28122 1.00000 O4 O 0.45579 0.65446 0.80554 1.00000 O5 O 0.65436 0.08418 0.80556 1.00000 O6 O 0.08406 0.45585 0.80566 1.00000