# generated using pymatgen data_CaAc3(Si3Hg)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48612223 _cell_length_b 4.48612223 _cell_length_c 14.77149653 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaAc3(Si3Hg)2 _chemical_formula_sum 'Ca1 Ac3 Si6 Hg2' _cell_volume 297.28069034 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.50000000 0.50000000 0.00000000 1.0 Ac Ac1 1 0.00000000 0.00000000 0.50000000 1.0 Ac Ac2 1 0.50000000 0.00000000 0.73734441 1.0 Ac Ac3 1 0.00000000 0.50000000 0.26265559 1.0 Si Si4 1 0.50000000 0.50000000 0.41998894 1.0 Si Si5 1 0.00000000 0.50000000 0.81644385 1.0 Si Si6 1 0.50000000 0.00000000 0.34259328 1.0 Si Si7 1 0.50000000 0.50000000 0.58001106 1.0 Si Si8 1 0.50000000 0.00000000 0.18355615 1.0 Si Si9 1 0.00000000 0.50000000 0.65740672 1.0 Hg Hg10 1 0.00000000 0.00000000 0.90787557 1.0 Hg Hg11 1 0.00000000 0.00000000 0.09212443 1.0