# CIF generated by HEAS from Alexandria entry agm007143545 data_agm007143545 _cell_length_a 5.63103 _cell_length_b 5.63103 _cell_length_c 4.72263 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 120.00000 _cell_volume 129.68485 _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 0.33333 0.66667 0.74209 1.00000 Ba2 Ba 0.66667 0.33333 0.25791 1.00000 Li1 Li 0.00000 0.00000 0.00000 1.00000 Cu1 Cu 0.00000 0.00000 0.50000 1.00000 H1 H 0.68951 0.84476 0.26719 1.00000 H2 H 0.15524 0.31049 0.26719 1.00000 H3 H 0.15524 0.84476 0.26719 1.00000 H4 H 0.84476 0.68951 0.73281 1.00000 H5 H 0.84476 0.15524 0.73281 1.00000 H6 H 0.31049 0.15524 0.73281 1.00000