# generated using pymatgen data_Ca4Y4Cd3Hg5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.49481062 _cell_length_b 7.49458982 _cell_length_c 7.44724184 _cell_angle_alpha 89.99589278 _cell_angle_beta 90.00468194 _cell_angle_gamma 90.07975370 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca4Y4Cd3Hg5 _chemical_formula_sum 'Ca4 Y4 Cd3 Hg5' _cell_volume 418.31512381 _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 0.74827359 0.25107302 0.99628043 1.0 Ca Ca1 1 0.25052297 0.74880669 0.50369960 1.0 Ca Ca2 1 0.74950050 0.25119252 0.50379589 1.0 Ca Ca3 1 0.25173967 0.74893817 0.99619998 1.0 Y Y4 1 0.25193818 0.25144663 0.99599166 1.0 Y Y5 1 0.74808121 0.74855750 0.99597105 1.0 Y Y6 1 0.74899374 0.74852424 0.50399304 1.0 Y Y7 1 0.25101979 0.25147656 0.50397336 1.0 Cd Cd8 1 0.00010986 0.49999109 0.24899797 1.0 Cd Cd9 1 0.00010400 0.00001976 0.24906696 1.0 Cd Cd10 1 0.49998071 0.00010896 0.25105973 1.0 Hg Hg11 1 0.50003102 0.49987305 0.25091591 1.0 Hg Hg12 1 0.49987675 0.49999682 0.74908365 1.0 Hg Hg13 1 0.49988428 0.00000048 0.74879581 1.0 Hg Hg14 1 0.99997975 0.00008240 0.75104328 1.0 Hg Hg15 1 0.99996294 0.49991612 0.75113468 1.0