# CIF generated by HEAS from Alexandria entry agm044106591 data_agm044106591 _cell_length_a 4.16970 _cell_length_b 4.16970 _cell_length_c 12.50807 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 217.47048 _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 0.66941 1.00000 Ba2 Ba 0.00000 0.00000 0.33059 1.00000 Ca1 Ca 0.00000 0.00000 0.00000 1.00000 Hf1 Hf 0.50000 0.50000 0.16179 1.00000 Hf2 Hf 0.50000 0.50000 0.83821 1.00000 Hf3 Hf 0.50000 0.50000 0.50000 1.00000 O1 O 0.00000 0.50000 0.84169 1.00000 O2 O 0.00000 0.50000 0.50000 1.00000 O3 O 0.00000 0.50000 0.15831 1.00000 O4 O 0.50000 0.00000 0.84169 1.00000 O5 O 0.50000 0.00000 0.50000 1.00000 O6 O 0.50000 0.00000 0.15831 1.00000 O7 O 0.50000 0.50000 0.00000 1.00000 O8 O 0.50000 0.50000 0.66852 1.00000 O9 O 0.50000 0.50000 0.33148 1.00000