# generated using pymatgen data_ThMg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.08080343 _cell_length_b 6.08080246 _cell_length_c 19.47032925 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00007799 _symmetry_Int_Tables_number 1 _chemical_formula_structural ThMg2 _chemical_formula_sum 'Th8 Mg16' _cell_volume 623.48419035 _cell_formula_units_Z 8 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 Th Th0 1 0.33333400 0.66666600 0.84251129 1.0 Th Th1 1 0.00000000 -0.00000000 0.09066674 1.0 Th Th2 1 0.00000000 -0.00000000 0.90933326 1.0 Th Th3 1 0.66666600 0.33333400 0.15748871 1.0 Th Th4 1 0.00000000 -0.00000000 0.59066674 1.0 Th Th5 1 0.66666600 0.33333400 0.34251129 1.0 Th Th6 1 0.00000000 -0.00000000 0.40933326 1.0 Th Th7 1 0.33333400 0.66666600 0.65748871 1.0 Mg Mg8 1 0.50000000 0.50000000 0.50000000 1.0 Mg Mg9 1 0.83910263 0.16089737 0.75000000 1.0 Mg Mg10 1 0.66666600 0.33333400 0.87385853 1.0 Mg Mg11 1 0.16089637 0.32179473 0.25000000 1.0 Mg Mg12 1 0.32179473 0.16089637 0.75000000 1.0 Mg Mg13 1 0.83910363 0.67820527 0.75000000 1.0 Mg Mg14 1 0.50000000 -0.00000000 0.50000000 1.0 Mg Mg15 1 0.67820527 0.83910363 0.25000000 1.0 Mg Mg16 1 0.50000000 0.50000000 -0.00000000 1.0 Mg Mg17 1 0.16089737 0.83910263 0.25000000 1.0 Mg Mg18 1 0.33333400 0.66666600 0.37385853 1.0 Mg Mg19 1 0.00000000 0.50000000 -0.00000000 1.0 Mg Mg20 1 0.66666600 0.33333400 0.62614147 1.0 Mg Mg21 1 0.00000000 0.50000000 0.50000000 1.0 Mg Mg22 1 0.33333400 0.66666600 0.12614147 1.0 Mg Mg23 1 0.50000000 -0.00000000 -0.00000000 1.0