# generated using pymatgen data_ThAl10TcRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.87465239 _cell_length_b 6.86560465 _cell_length_c 9.16656690 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 97.11868476 _symmetry_Int_Tables_number 1 _chemical_formula_structural ThAl10TcRu _chemical_formula_sum 'Th2 Al20 Tc2 Ru2' _cell_volume 429.31449556 _cell_formula_units_Z 2 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 0.86829664 0.12009936 0.75000000 1.0 Th Th1 1 0.13170336 0.87990064 0.25000000 1.0 Al Al2 1 0.59619515 0.86220771 0.25000000 1.0 Al Al3 1 0.78329134 0.51908290 0.25000000 1.0 Al Al4 1 0.16005763 0.83761231 0.89780837 1.0 Al Al5 1 0.40380485 0.13779229 0.75000000 1.0 Al Al6 1 0.62125180 0.37789841 0.95149995 1.0 Al Al7 1 0.83994237 0.16238769 0.39780837 1.0 Al Al8 1 0.77183174 0.77072758 0.99994747 1.0 Al Al9 1 0.86034068 0.59226928 0.75000000 1.0 Al Al10 1 0.83994237 0.16238769 0.10219163 1.0 Al Al11 1 0.21670866 0.48091710 0.75000000 1.0 Al Al12 1 0.16005763 0.83761231 0.60219163 1.0 Al Al13 1 0.77183174 0.77072758 0.50005253 1.0 Al Al14 1 0.48492692 0.22244833 0.25000000 1.0 Al Al15 1 0.62125180 0.37789841 0.54850005 1.0 Al Al16 1 0.22816826 0.22927242 0.49994747 1.0 Al Al17 1 0.37874820 0.62210159 0.45149995 1.0 Al Al18 1 0.13965932 0.40773072 0.25000000 1.0 Al Al19 1 0.51507308 0.77755167 0.75000000 1.0 Al Al20 1 0.37874820 0.62210159 0.04850005 1.0 Al Al21 1 0.22816826 0.22927242 0.00005253 1.0 Tc Tc22 1 0.50000000 0.00000000 0.00000000 1.0 Tc Tc23 1 0.50000000 0.00000000 0.50000000 1.0 Ru Ru24 1 0.00000000 0.50000000 0.00000000 1.0 Ru Ru25 1 0.00000000 0.50000000 0.50000000 1.0