# CIF generated by HEAS from Alexandria entry agm005437547 data_agm005437547 _cell_length_a 4.40063 _cell_length_b 4.40063 _cell_length_c 8.73593 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 120.00000 _cell_volume 146.51060 _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 0.00000 1.00000 Ba2 Ba 0.00000 0.00000 0.50000 1.00000 C1 C 0.33333 0.66667 0.82234 1.00000 C2 C 0.66667 0.33333 0.32234 1.00000 C3 C 0.33333 0.66667 0.67766 1.00000 C4 C 0.66667 0.33333 0.17766 1.00000