# generated using pymatgen data_Th2(P2Pd7)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.62645843 _cell_length_b 8.62645841 _cell_length_c 8.62645807 _cell_angle_alpha 60.00000504 _cell_angle_beta 60.00000513 _cell_angle_gamma 60.00000550 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th2(P2Pd7)3 _chemical_formula_sum 'Th2 P6 Pd21' _cell_volume 453.92346754 _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 0.25000000 0.25000000 0.25000000 1.0 Th Th1 1 0.75000000 0.75000000 0.75000000 1.0 P P2 1 0.74069826 0.25930174 0.25930174 1.0 P P3 1 0.25930174 0.74069826 0.74069826 1.0 P P4 1 0.25930174 0.74069826 0.25930174 1.0 P P5 1 0.74069826 0.25930174 0.74069826 1.0 P P6 1 0.25930174 0.25930174 0.74069826 1.0 P P7 1 0.74069826 0.74069826 0.25930174 1.0 Pd Pd8 1 0.00000000 0.00000000 0.00000000 1.0 Pd Pd9 1 0.38538008 0.38538008 0.38538008 1.0 Pd Pd10 1 0.61461992 0.61461992 0.61461992 1.0 Pd Pd11 1 0.38538008 0.38538008 0.84385775 1.0 Pd Pd12 1 0.38538008 0.84385775 0.38538008 1.0 Pd Pd13 1 0.61461992 0.61461992 0.15614225 1.0 Pd Pd14 1 0.61461992 0.15614225 0.61461992 1.0 Pd Pd15 1 0.84385775 0.38538008 0.38538008 1.0 Pd Pd16 1 0.15614225 0.61461992 0.61461992 1.0 Pd Pd17 1 0.34499173 0.00000000 0.00000000 1.0 Pd Pd18 1 0.65500827 0.00000000 0.00000000 1.0 Pd Pd19 1 0.00000000 0.34499173 0.65500827 1.0 Pd Pd20 1 0.00000000 0.65500827 0.34499173 1.0 Pd Pd21 1 0.00000000 0.34499173 0.00000000 1.0 Pd Pd22 1 0.65500827 0.00000000 0.34499173 1.0 Pd Pd23 1 0.00000000 0.65500827 0.00000000 1.0 Pd Pd24 1 0.34499173 0.00000000 0.65500827 1.0 Pd Pd25 1 0.00000000 0.00000000 0.34499173 1.0 Pd Pd26 1 1.00000000 1.00000000 0.65500827 1.0 Pd Pd27 1 0.65500827 0.34499173 0.00000000 1.0 Pd Pd28 1 0.34499173 0.65500827 0.00000000 1.0