# CIF generated by HEAS from Alexandria entry agm004074449 data_agm004074449 _cell_length_a 6.54076 _cell_length_b 6.53832 _cell_length_c 3.60191 _cell_angle_alpha 74.05177 _cell_angle_beta 73.97712 _cell_angle_gamma 31.97111 _cell_volume 78.14317 _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 Be1 Be 0.28632 0.28632 0.71368 1.00000 Hg1 Hg 0.71659 0.71659 0.28341 1.00000 Ba1 Ba 0.99709 0.99709 0.00291 1.00000