# generated using pymatgen data_Sr17(Li2Hg3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.43448708 _cell_length_b 14.43448708 _cell_length_c 14.43448708 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr17(Li2Hg3)3 _chemical_formula_sum 'Sr34 Li12 Hg18' _cell_volume 2315.16622148 _cell_formula_units_Z 2 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 Sr Sr0 1 0.00000000 0.00000000 0.00000000 1.0 Sr Sr1 1 0.44886100 0.18778800 0.00000000 1.0 Sr Sr2 1 0.18778800 0.44886100 0.00000000 1.0 Sr Sr3 1 0.50000000 0.50000000 0.00000000 1.0 Sr Sr4 1 0.81221200 0.55113900 0.00000000 1.0 Sr Sr5 1 0.55113900 0.81221200 0.00000000 1.0 Sr Sr6 1 0.44886100 0.00000000 0.18778800 1.0 Sr Sr7 1 0.73892700 0.18778800 0.18778800 1.0 Sr Sr8 1 0.00000000 0.44886100 0.18778800 1.0 Sr Sr9 1 0.18778800 0.73892700 0.18778800 1.0 Sr Sr10 1 0.75000000 0.50000000 0.25000000 1.0 Sr Sr11 1 0.50000000 0.75000000 0.25000000 1.0 Sr Sr12 1 0.44886100 0.44886100 0.26107300 1.0 Sr Sr13 1 0.81221200 0.81221200 0.26107300 1.0 Sr Sr14 1 0.18778800 0.00000000 0.44886100 1.0 Sr Sr15 1 0.00000000 0.18778800 0.44886100 1.0 Sr Sr16 1 0.44886100 0.26107300 0.44886100 1.0 Sr Sr17 1 0.26107300 0.44886100 0.44886100 1.0 Sr Sr18 1 0.50000000 0.00000000 0.50000000 1.0 Sr Sr19 1 0.75000000 0.25000000 0.50000000 1.0 Sr Sr20 1 0.00000000 0.50000000 0.50000000 1.0 Sr Sr21 1 0.25000000 0.75000000 0.50000000 1.0 Sr Sr22 1 0.81221200 0.00000000 0.55113900 1.0 Sr Sr23 1 0.00000000 0.81221200 0.55113900 1.0 Sr Sr24 1 0.73892700 0.55113900 0.55113900 1.0 Sr Sr25 1 0.55113900 0.73892700 0.55113900 1.0 Sr Sr26 1 0.18778800 0.18778800 0.73892700 1.0 Sr Sr27 1 0.55113900 0.55113900 0.73892700 1.0 Sr Sr28 1 0.50000000 0.25000000 0.75000000 1.0 Sr Sr29 1 0.25000000 0.50000000 0.75000000 1.0 Sr Sr30 1 0.55113900 0.00000000 0.81221200 1.0 Sr Sr31 1 0.81221200 0.26107300 0.81221200 1.0 Sr Sr32 1 0.00000000 0.55113900 0.81221200 1.0 Sr Sr33 1 0.26107300 0.81221200 0.81221200 1.0 Li Li34 1 0.85203800 0.14796200 0.00000000 1.0 Li Li35 1 0.14796200 0.85203800 0.00000000 1.0 Li Li36 1 0.85203800 0.00000000 0.14796200 1.0 Li Li37 1 0.00000000 0.85203800 0.14796200 1.0 Li Li38 1 0.29592500 0.14796200 0.14796200 1.0 Li Li39 1 0.14796200 0.29592500 0.14796200 1.0 Li Li40 1 0.14796200 0.14796200 0.29592500 1.0 Li Li41 1 0.85203800 0.85203800 0.70407500 1.0 Li Li42 1 0.14796200 0.00000000 0.85203800 1.0 Li Li43 1 0.00000000 0.14796200 0.85203800 1.0 Li Li44 1 0.85203800 0.70407500 0.85203800 1.0 Li Li45 1 0.70407500 0.85203800 0.85203800 1.0 Hg Hg46 1 0.23116600 0.23116600 0.00000000 1.0 Hg Hg47 1 0.70467800 0.29532200 0.00000000 1.0 Hg Hg48 1 0.29532200 0.70467800 0.00000000 1.0 Hg Hg49 1 0.76883400 0.76883400 0.00000000 1.0 Hg Hg50 1 0.23116600 0.00000000 0.23116600 1.0 Hg Hg51 1 0.00000000 0.23116600 0.23116600 1.0 Hg Hg52 1 0.70467800 0.00000000 0.29532200 1.0 Hg Hg53 1 0.59064300 0.29532200 0.29532200 1.0 Hg Hg54 1 0.29532200 0.59064300 0.29532200 1.0 Hg Hg55 1 0.00000000 0.70467800 0.29532200 1.0 Hg Hg56 1 0.70467800 0.70467800 0.40935700 1.0 Hg Hg57 1 0.29532200 0.29532200 0.59064300 1.0 Hg Hg58 1 0.29532200 0.00000000 0.70467800 1.0 Hg Hg59 1 0.00000000 0.29532200 0.70467800 1.0 Hg Hg60 1 0.70467800 0.40935700 0.70467800 1.0 Hg Hg61 1 0.40935700 0.70467800 0.70467800 1.0 Hg Hg62 1 0.76883400 0.00000000 0.76883400 1.0 Hg Hg63 1 0.00000000 0.76883400 0.76883400 1.0