# CIF generated by HEAS from Alexandria entry agm002811508 data_agm002811508 _cell_length_a 8.07582 _cell_length_b 8.07582 _cell_length_c 6.30295 _cell_angle_alpha 50.16056 _cell_angle_beta 50.16056 _cell_angle_gamma 90.00000 _cell_volume 173.99758 _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 0.50000 0.00000 1.00000 Ca2 Ca 0.25000 0.75000 0.50000 1.00000 Fe1 Fe 0.67200 0.12500 0.25000 1.00000 Fe2 Fe 0.07800 0.62500 0.25000 1.00000 Fe3 Fe 0.37500 0.32800 0.75000 1.00000 Fe4 Fe 0.87500 0.92200 0.75000 1.00000 Br1 Br 0.00000 0.00000 0.00000 1.00000 Br2 Br 0.75000 0.25000 0.50000 1.00000