# CIF generated by HEAS from Alexandria entry agm004200529 data_agm004200529 _cell_length_a 3.95726 _cell_length_b 4.60155 _cell_length_c 6.53433 _cell_angle_alpha 69.38918 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 111.37097 _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 Ca1 Ca 0.50000 0.75013 0.87470 1.00000 Ba1 Ba 0.00000 0.47748 0.42024 1.00000 Fe1 Fe 0.00000 0.18474 0.00515 1.00000 Fe2 Fe 0.50000 0.08766 0.19992 1.00000