# generated using pymatgen data_Tm20Cd3Ni2Hg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.49063179 _cell_length_b 9.49089261 _cell_length_c 9.36180708 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99697324 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm20Cd3Ni2Hg3 _chemical_formula_sum 'Tm20 Cd3 Ni2 Hg3' _cell_volume 730.30747794 _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 Tm Tm0 1 0.99999520 0.99999911 0.48638380 1.0 Tm Tm1 1 0.99999520 0.99999911 0.01361620 1.0 Tm Tm2 1 0.54306511 0.45693625 0.25000000 1.0 Tm Tm3 1 0.54307794 0.08613103 0.25000000 1.0 Tm Tm4 1 0.91389745 0.45693586 0.25000000 1.0 Tm Tm5 1 0.45636827 0.54364237 0.75000000 1.0 Tm Tm6 1 0.45634805 0.91268490 0.75000000 1.0 Tm Tm7 1 0.08731374 0.54365821 0.75000000 1.0 Tm Tm8 1 0.21013947 0.78986715 0.43540975 1.0 Tm Tm9 1 0.21012816 0.42023584 0.43542357 1.0 Tm Tm10 1 0.57974055 0.78986432 0.43541167 1.0 Tm Tm11 1 0.78990060 0.21010430 0.56443534 1.0 Tm Tm12 1 0.78992783 0.57984953 0.56441334 1.0 Tm Tm13 1 0.42016780 0.21008227 0.56442053 1.0 Tm Tm14 1 0.78990060 0.21010430 0.93556466 1.0 Tm Tm15 1 0.78992783 0.57984953 0.93558666 1.0 Tm Tm16 1 0.42016780 0.21008227 0.93557947 1.0 Tm Tm17 1 0.21013947 0.78986715 0.06459025 1.0 Tm Tm18 1 0.21012816 0.42023584 0.06457643 1.0 Tm Tm19 1 0.57974055 0.78986432 0.06458833 1.0 Cd Cd20 1 0.11347489 0.88652063 0.75000000 1.0 Cd Cd21 1 0.11348566 0.22696458 0.75000000 1.0 Cd Cd22 1 0.77303547 0.88651516 0.75000000 1.0 Ni Ni23 1 0.33330234 0.66656178 0.25000000 1.0 Ni Ni24 1 0.66662661 0.33346016 0.75000000 1.0 Hg Hg25 1 0.87642147 0.12357241 0.25000000 1.0 Hg Hg26 1 0.87642688 0.75284159 0.25000000 1.0 Hg Hg27 1 0.24715788 0.12357001 0.25000000 1.0