# generated using pymatgen data_Ca8InHg4Pb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.71689642 _cell_length_b 5.40979840 _cell_length_c 10.81740546 _cell_angle_alpha 90.00101386 _cell_angle_beta 90.00028120 _cell_angle_gamma 89.99999953 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca8InHg4Pb3 _chemical_formula_sum 'Ca8 In1 Hg4 Pb3' _cell_volume 451.59264573 _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 0.50031975 0.75000101 0.12518837 1.0 Ca Ca1 1 0.99964552 0.74999932 0.12520169 1.0 Ca Ca2 1 0.49855928 0.25000007 0.37438548 1.0 Ca Ca3 1 0.00142254 0.25000090 0.37437909 1.0 Ca Ca4 1 0.00285417 0.75000012 0.62514771 1.0 Ca Ca5 1 0.49714621 0.75000013 0.62513793 1.0 Ca Ca6 1 0.00146668 0.25000150 0.87533391 1.0 Ca Ca7 1 0.49851979 0.25000094 0.87536618 1.0 In In8 1 0.25000004 0.25000062 0.12476462 1.0 Hg Hg9 1 0.74999270 0.25000098 0.12459205 1.0 Hg Hg10 1 0.24996105 0.75000264 0.36453516 1.0 Hg Hg11 1 0.74999592 0.25000095 0.62468499 1.0 Hg Hg12 1 0.25000709 0.74999735 0.88608426 1.0 Pb Pb13 1 0.75000262 0.74999738 0.37651871 1.0 Pb Pb14 1 0.24999834 0.25000074 0.62479987 1.0 Pb Pb15 1 0.75001131 0.75000333 0.87388098 1.0