# CIF generated by HEAS from Alexandria entry agm007228239 data_agm007228239 _cell_length_a 4.65325 _cell_length_b 4.65325 _cell_length_c 7.51175 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 120.00000 _cell_volume 140.85878 _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 Ba1 Ba 0.00000 0.00000 0.50000 1.00000 Ni1 Ni 0.00000 0.00000 0.00000 1.00000 Hg1 Hg 0.66667 0.33333 0.19211 1.00000 Hg2 Hg 0.33333 0.66667 0.80789 1.00000 H1 H 0.85083 0.70166 0.86515 1.00000 H2 H 0.29834 0.14917 0.86515 1.00000 H3 H 0.85083 0.14917 0.86515 1.00000 H4 H 0.14917 0.29834 0.13485 1.00000 H5 H 0.70166 0.85083 0.13485 1.00000 H6 H 0.14917 0.85083 0.13485 1.00000 H7 H 0.66667 0.33333 0.45529 1.00000 H8 H 0.33333 0.66667 0.54471 1.00000