# generated using pymatgen data_SrHg8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47097300 _cell_length_b 13.49580200 _cell_length_c 27.35031400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrHg8 _chemical_formula_sum 'Sr8 Hg64' _cell_volume 2019.41503876 _cell_formula_units_Z 8 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 0.25000000 0.04438600 0.29876700 1.0 Sr Sr1 1 0.25000000 0.54438600 0.20123300 1.0 Sr Sr2 1 0.75000000 0.95561400 0.70123300 1.0 Sr Sr3 1 0.75000000 0.45561400 0.79876700 1.0 Sr Sr4 1 0.25000000 0.07813500 0.90501100 1.0 Sr Sr5 1 0.25000000 0.57813500 0.59498900 1.0 Sr Sr6 1 0.75000000 0.92186500 0.09498900 1.0 Sr Sr7 1 0.75000000 0.42186500 0.40501100 1.0 Hg Hg8 1 0.25000000 0.00801300 0.44872000 1.0 Hg Hg9 1 0.25000000 0.50801300 0.05128000 1.0 Hg Hg10 1 0.75000000 0.99198700 0.55128000 1.0 Hg Hg11 1 0.75000000 0.49198700 0.94872000 1.0 Hg Hg12 1 0.25000000 0.07260100 0.15762700 1.0 Hg Hg13 1 0.25000000 0.57260100 0.34237300 1.0 Hg Hg14 1 0.75000000 0.92739900 0.84237300 1.0 Hg Hg15 1 0.75000000 0.42739900 0.65762700 1.0 Hg Hg16 1 0.25000000 0.07124800 0.77330100 1.0 Hg Hg17 1 0.25000000 0.57124800 0.72669900 1.0 Hg Hg18 1 0.75000000 0.92875200 0.22669900 1.0 Hg Hg19 1 0.75000000 0.42875200 0.27330100 1.0 Hg Hg20 1 0.25000000 0.12636800 0.66756200 1.0 Hg Hg21 1 0.25000000 0.62636800 0.83243800 1.0 Hg Hg22 1 0.75000000 0.87363200 0.33243800 1.0 Hg Hg23 1 0.75000000 0.37363200 0.16756200 1.0 Hg Hg24 1 0.25000000 0.13559800 0.53979400 1.0 Hg Hg25 1 0.25000000 0.63559800 0.96020600 1.0 Hg Hg26 1 0.75000000 0.86440200 0.46020600 1.0 Hg Hg27 1 0.75000000 0.36440200 0.03979400 1.0 Hg Hg28 1 0.25000000 0.22054300 0.40784000 1.0 Hg Hg29 1 0.25000000 0.72054300 0.09216000 1.0 Hg Hg30 1 0.75000000 0.77945700 0.59216000 1.0 Hg Hg31 1 0.75000000 0.27945700 0.90784000 1.0 Hg Hg32 1 0.25000000 0.27196900 0.21849900 1.0 Hg Hg33 1 0.25000000 0.77196900 0.28150100 1.0 Hg Hg34 1 0.75000000 0.72803100 0.78150100 1.0 Hg Hg35 1 0.75000000 0.22803100 0.71849900 1.0 Hg Hg36 1 0.25000000 0.27779900 0.81562900 1.0 Hg Hg37 1 0.25000000 0.77779900 0.68437100 1.0 Hg Hg38 1 0.75000000 0.72220100 0.18437100 1.0 Hg Hg39 1 0.75000000 0.22220100 0.31562900 1.0 Hg Hg40 1 0.25000000 0.28567500 0.98643200 1.0 Hg Hg41 1 0.25000000 0.78567500 0.51356800 1.0 Hg Hg42 1 0.75000000 0.71432500 0.01356800 1.0 Hg Hg43 1 0.75000000 0.21432500 0.48643200 1.0 Hg Hg44 1 0.25000000 0.31039400 0.10666900 1.0 Hg Hg45 1 0.25000000 0.81039400 0.39333100 1.0 Hg Hg46 1 0.75000000 0.68960600 0.89333100 1.0 Hg Hg47 1 0.75000000 0.18960600 0.60666900 1.0 Hg Hg48 1 0.25000000 0.32556100 0.60413900 1.0 Hg Hg49 1 0.25000000 0.82556100 0.89586100 1.0 Hg Hg50 1 0.75000000 0.67443900 0.39586100 1.0 Hg Hg51 1 0.75000000 0.17443900 0.10413900 1.0 Hg Hg52 1 0.25000000 0.35503900 0.32071700 1.0 Hg Hg53 1 0.25000000 0.85503900 0.17928300 1.0 Hg Hg54 1 0.75000000 0.64496100 0.67928300 1.0 Hg Hg55 1 0.75000000 0.14496100 0.82071700 1.0 Hg Hg56 1 0.25000000 0.35407700 0.71411100 1.0 Hg Hg57 1 0.25000000 0.85407700 0.78588900 1.0 Hg Hg58 1 0.75000000 0.64592300 0.28588900 1.0 Hg Hg59 1 0.75000000 0.14592300 0.21411100 1.0 Hg Hg60 1 0.25000000 0.37253700 0.49031300 1.0 Hg Hg61 1 0.25000000 0.87253700 0.00968700 1.0 Hg Hg62 1 0.75000000 0.62746300 0.50968700 1.0 Hg Hg63 1 0.75000000 0.12746300 0.99031300 1.0 Hg Hg64 1 0.25000000 0.43003600 0.89437200 1.0 Hg Hg65 1 0.25000000 0.93003600 0.60562800 1.0 Hg Hg66 1 0.75000000 0.56996400 0.10562800 1.0 Hg Hg67 1 0.75000000 0.06996400 0.39437200 1.0 Hg Hg68 1 0.25000000 0.58449000 0.45302600 1.0 Hg Hg69 1 0.25000000 0.08449000 0.04697400 1.0 Hg Hg70 1 0.75000000 0.41551000 0.54697400 1.0 Hg Hg71 1 0.75000000 0.91551000 0.95302600 1.0