# generated using pymatgen data_Th2(As2Pd7)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.81556189 _cell_length_b 8.81556096 _cell_length_c 8.81556037 _cell_angle_alpha 59.99999854 _cell_angle_beta 60.00000203 _cell_angle_gamma 59.99999998 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th2(As2Pd7)3 _chemical_formula_sum 'Th2 As6 Pd21' _cell_volume 484.43429359 _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 Th Th0 1 0.75000000 0.75000000 0.75000000 1.0 Th Th1 1 0.25000000 0.25000000 0.25000000 1.0 As As2 1 0.73954289 0.73954289 0.26045711 1.0 As As3 1 0.26045711 0.73954289 0.26045711 1.0 As As4 1 0.73954289 0.26045711 0.26045711 1.0 As As5 1 0.26045711 0.26045711 0.73954289 1.0 As As6 1 0.73954289 0.26045711 0.73954289 1.0 As As7 1 0.26045711 0.73954289 0.73954289 1.0 Pd Pd8 1 0.00000000 0.00000000 0.00000000 1.0 Pd Pd9 1 0.61711911 0.61711911 0.14864067 1.0 Pd Pd10 1 0.61711911 0.14864067 0.61711911 1.0 Pd Pd11 1 0.14864067 0.61711911 0.61711911 1.0 Pd Pd12 1 0.61711911 0.61711911 0.61711911 1.0 Pd Pd13 1 0.38288089 0.38288089 0.85135933 1.0 Pd Pd14 1 0.38288089 0.85135933 0.38288089 1.0 Pd Pd15 1 0.85135933 0.38288089 0.38288089 1.0 Pd Pd16 1 0.38288089 0.38288089 0.38288089 1.0 Pd Pd17 1 0.00000000 0.00000000 0.34896644 1.0 Pd Pd18 1 0.65103356 0.00000000 0.34896644 1.0 Pd Pd19 1 1.00000000 0.65103356 0.34896644 1.0 Pd Pd20 1 0.65103356 0.34896644 0.00000000 1.0 Pd Pd21 1 0.00000000 0.34896644 1.00000000 1.0 Pd Pd22 1 0.00000000 0.34896644 0.65103356 1.0 Pd Pd23 1 0.34896644 0.65103356 1.00000000 1.0 Pd Pd24 1 0.34896644 1.00000000 0.65103356 1.0 Pd Pd25 1 0.34896644 1.00000000 1.00000000 1.0 Pd Pd26 1 1.00000000 1.00000000 0.65103356 1.0 Pd Pd27 1 1.00000000 0.65103356 0.00000000 1.0 Pd Pd28 1 0.65103356 0.00000000 0.00000000 1.0