# CIF generated by HEAS from Alexandria entry agm004074009 data_agm004074009 _cell_length_a 5.05984 _cell_length_b 5.05984 _cell_length_c 5.05984 _cell_angle_alpha 129.10449 _cell_angle_beta 129.08281 _cell_angle_gamma 74.85987 _cell_volume 76.00182 _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 Fe1 Fe 0.25000 0.75000 0.50000 1.00000 Hg1 Hg 0.00014 0.00014 1.00000 1.00000 Hg2 Hg 0.49986 0.49986 0.00000 1.00000 Sc1 Sc 0.75000 0.25000 0.50000 1.00000