# CIF generated by HEAS from Alexandria entry agm072655816 data_agm072655816 _cell_length_a 6.61923 _cell_length_b 6.61923 _cell_length_c 8.92649 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 120.00000 _cell_volume 338.70819 _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 Ca1 Ca 0.00000 0.00000 0.50000 1.00000 Ca2 Ca 0.66667 0.33333 0.78872 1.00000 Ca3 Ca 0.33333 0.66667 0.21128 1.00000 Ca4 Ca 0.33333 0.66667 0.78872 1.00000 Ca5 Ca 0.66667 0.33333 0.21128 1.00000 Hg1 Hg 0.50000 0.50000 0.50000 1.00000 Hg2 Hg 0.50000 0.00000 0.50000 1.00000 Hg3 Hg 0.00000 0.50000 0.50000 1.00000