# CIF generated by HEAS from Alexandria entry agm002942002 data_agm002942002 _cell_length_a 5.45589 _cell_length_b 5.45589 _cell_length_c 7.55829 _cell_angle_alpha 68.84324 _cell_angle_beta 68.84324 _cell_angle_gamma 90.00000 _cell_volume 193.47063 _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 S1 S 0.75000 0.25000 0.50000 1.00000 S2 S 0.25000 0.75000 0.50000 1.00000 Ca1 Ca 0.26192 0.26192 0.47616 1.00000 Ca2 Ca 0.73808 0.73808 0.52384 1.00000 Hg1 Hg 0.00000 0.00000 0.00000 1.00000