# CIF generated by HEAS from Alexandria entry agm005406928 data_agm005406928 _cell_length_a 10.31947 _cell_length_b 10.31947 _cell_length_c 10.31947 _cell_angle_alpha 161.06852 _cell_angle_beta 161.06852 _cell_angle_gamma 26.89785 _cell_volume 115.62866 _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 0.62065 0.62065 0.00000 1.00000 Ca2 Ca 0.37935 0.37935 0.00000 1.00000 Tl1 Tl 0.00000 0.00000 0.00000 1.00000 Fe1 Fe 0.25000 0.75000 0.50000 1.00000 Fe2 Fe 0.75000 0.25000 0.50000 1.00000