# generated using pymatgen data_YTh5(CdHg2)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18715359 _cell_length_b 7.29118090 _cell_length_c 15.46848334 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00035460 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTh5(CdHg2)6 _chemical_formula_sum 'Y1 Th5 Cd6 Hg12' _cell_volume 585.02539046 _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 Y Y0 1 0.50005994 0.50000000 0.83333503 1.0 Th Th1 1 0.00000206 0.00000000 0.99824488 1.0 Th Th2 1 0.49993633 0.50000000 0.16470421 1.0 Th Th3 1 0.99994042 0.00000000 0.33340209 1.0 Th Th4 1 0.49999887 0.50000000 0.50200983 1.0 Th Th5 1 0.00007054 0.00000000 0.66834662 1.0 Cd Cd6 1 0.99999407 0.50000000 0.99902131 1.0 Cd Cd7 1 0.49993980 0.00000000 0.16503861 1.0 Cd Cd8 1 0.99995787 0.50000000 0.33310151 1.0 Cd Cd9 1 0.50001126 0.00000000 0.50173257 1.0 Cd Cd10 1 0.00005197 0.50000000 0.66777367 1.0 Cd Cd11 1 0.50003440 0.00000000 0.83329333 1.0 Hg Hg12 1 0.49999955 0.25245176 0.99553576 1.0 Hg Hg13 1 0.49999955 0.74754724 0.99553576 1.0 Hg Hg14 1 0.99993440 0.25051380 0.16589004 1.0 Hg Hg15 1 0.99993440 0.74948720 0.16589004 1.0 Hg Hg16 1 0.49993516 0.25054880 0.33329430 1.0 Hg Hg17 1 0.49993516 0.74945220 0.33329430 1.0 Hg Hg18 1 0.00000101 0.25075939 0.50071543 1.0 Hg Hg19 1 0.00000101 0.74924161 0.50071543 1.0 Hg Hg20 1 0.50007081 0.25246706 0.67119519 1.0 Hg Hg21 1 0.50007081 0.74753394 0.67119519 1.0 Hg Hg22 1 0.00006080 0.26294924 0.83336695 1.0 Hg Hg23 1 0.00006080 0.73705176 0.83336695 1.0