# CIF generated by HEAS from Alexandria entry agm003673476 data_agm003673476 _cell_length_a 5.68762 _cell_length_b 7.21362 _cell_length_c 8.05391 _cell_angle_alpha 110.92979 _cell_angle_beta 90.00000 _cell_angle_gamma 113.21781 _cell_volume 279.79650 _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 0.00000 0.00000 0.00000 1.00000 Hg1 Hg 0.68196 0.36392 0.32268 1.00000 Hg2 Hg 0.64529 0.29059 0.82461 1.00000 Hg3 Hg 0.00000 0.00000 0.50000 1.00000 Hg4 Hg 0.35471 0.70941 0.17539 1.00000 Hg5 Hg 0.31804 0.63608 0.67732 1.00000 S1 S 0.86681 0.73362 0.20109 1.00000 S2 S 0.80159 0.60318 0.68508 1.00000 S3 S 0.50000 0.00000 0.00000 1.00000 S4 S 0.19841 0.39682 0.31492 1.00000 S5 S 0.13319 0.26638 0.79891 1.00000