# CIF generated by HEAS from Alexandria entry agm003432012 data_agm003432012 _cell_length_a 4.00077 _cell_length_b 4.29189 _cell_length_c 7.53150 _cell_angle_alpha 106.55462 _cell_angle_beta 105.40275 _cell_angle_gamma 90.00000 _cell_volume 119.10806 _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 0.64837 0.64837 0.29674 1.00000 Ba2 Ba 0.35163 0.35163 0.70326 1.00000 Zr1 Zr 0.00000 0.00000 0.00000 1.00000 O1 O 0.00000 0.50000 0.00000 1.00000 O2 O 0.84807 0.84807 0.69614 1.00000 O3 O 0.15193 0.15193 0.30386 1.00000