# generated using pymatgen data_Ca4Hg9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.12538900 _cell_length_b 11.12538900 _cell_length_c 11.12538900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca4Hg9 _chemical_formula_sum 'Ca16 Hg36' _cell_volume 1377.03701766 _cell_formula_units_Z 4 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 0.80858800 0.46382600 0.19141200 1.0 Ca Ca1 1 0.46382600 0.19141200 0.80858800 1.0 Ca Ca2 1 0.53617400 0.80858800 0.80858800 1.0 Ca Ca3 1 0.86582400 0.13417600 0.86582400 1.0 Ca Ca4 1 0.19141200 0.80858800 0.46382600 1.0 Ca Ca5 1 0.13417600 0.86582400 0.86582400 1.0 Ca Ca6 1 0.80858800 0.19141200 0.46382600 1.0 Ca Ca7 1 0.53617400 0.19141200 0.19141200 1.0 Ca Ca8 1 0.19141200 0.53617400 0.19141200 1.0 Ca Ca9 1 0.13417600 0.13417600 0.13417600 1.0 Ca Ca10 1 0.19141200 0.19141200 0.53617400 1.0 Ca Ca11 1 0.80858800 0.80858800 0.53617400 1.0 Ca Ca12 1 0.80858800 0.53617400 0.80858800 1.0 Ca Ca13 1 0.19141200 0.46382600 0.80858800 1.0 Ca Ca14 1 0.46382600 0.80858800 0.19141200 1.0 Ca Ca15 1 0.86582400 0.86582400 0.13417600 1.0 Hg Hg16 1 0.84047900 0.84047900 0.84047900 1.0 Hg Hg17 1 0.00000000 0.00000000 0.36179900 1.0 Hg Hg18 1 0.32389700 0.97502900 0.67610300 1.0 Hg Hg19 1 0.32389700 0.02497100 0.32389700 1.0 Hg Hg20 1 0.84047900 0.15952100 0.15952100 1.0 Hg Hg21 1 0.60493200 0.60493200 0.60493200 1.0 Hg Hg22 1 0.63820100 0.00000000 0.00000000 1.0 Hg Hg23 1 0.60493200 0.39506800 0.39506800 1.0 Hg Hg24 1 0.67610300 0.67610300 0.02497100 1.0 Hg Hg25 1 0.15952100 0.84047900 0.15952100 1.0 Hg Hg26 1 0.50000000 0.50000000 0.85235100 1.0 Hg Hg27 1 0.31579800 0.68420200 0.68420200 1.0 Hg Hg28 1 0.68420200 0.31579800 0.68420200 1.0 Hg Hg29 1 0.50000000 0.14764900 0.50000000 1.0 Hg Hg30 1 0.97502900 0.67610300 0.32389700 1.0 Hg Hg31 1 0.00000000 0.00000000 0.63820100 1.0 Hg Hg32 1 0.31579800 0.31579800 0.31579800 1.0 Hg Hg33 1 0.02497100 0.32389700 0.32389700 1.0 Hg Hg34 1 0.39506800 0.39506800 0.60493200 1.0 Hg Hg35 1 0.32389700 0.67610300 0.97502900 1.0 Hg Hg36 1 0.50000000 0.50000000 0.14764900 1.0 Hg Hg37 1 0.68420200 0.68420200 0.31579800 1.0 Hg Hg38 1 0.67610300 0.32389700 0.97502900 1.0 Hg Hg39 1 0.50000000 0.85235100 0.50000000 1.0 Hg Hg40 1 0.15952100 0.15952100 0.84047900 1.0 Hg Hg41 1 0.00000000 0.36179900 0.00000000 1.0 Hg Hg42 1 0.97502900 0.32389700 0.67610300 1.0 Hg Hg43 1 0.14764900 0.50000000 0.50000000 1.0 Hg Hg44 1 0.39506800 0.60493200 0.39506800 1.0 Hg Hg45 1 0.67610300 0.97502900 0.32389700 1.0 Hg Hg46 1 0.67610300 0.02497100 0.67610300 1.0 Hg Hg47 1 0.85235100 0.50000000 0.50000000 1.0 Hg Hg48 1 0.00000000 0.63820100 0.00000000 1.0 Hg Hg49 1 0.02497100 0.67610300 0.67610300 1.0 Hg Hg50 1 0.32389700 0.32389700 0.02497100 1.0 Hg Hg51 1 0.36179900 0.00000000 0.00000000 1.0