# CIF generated by HEAS from Alexandria entry agm002811554 data_agm002811554 _cell_length_a 4.88232 _cell_length_b 4.88232 _cell_length_c 9.72718 _cell_angle_alpha 75.46552 _cell_angle_beta 75.46552 _cell_angle_gamma 90.00000 _cell_volume 216.77196 _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 Hg1 Hg 0.70993 0.12500 0.25000 1.00000 Hg2 Hg 0.04007 0.62500 0.25000 1.00000 Hg3 Hg 0.37500 0.29007 0.75000 1.00000 Hg4 Hg 0.87500 0.95993 0.75000 1.00000 Fe1 Fe 0.00000 0.00000 0.00000 1.00000 Fe2 Fe 0.75000 0.25000 0.50000 1.00000