# generated using pymatgen data_Tb3Cr2P6Rh7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87800941 _cell_length_b 11.17465827 _cell_length_c 12.70202670 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb3Cr2P6Rh7 _chemical_formula_sum 'Tb6 Cr4 P12 Rh14' _cell_volume 550.44778802 _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 Tb Tb0 1 0.00000000 0.50000000 0.52060007 1.0 Tb Tb1 1 0.50000000 0.00000000 0.47939993 1.0 Tb Tb2 1 0.50000000 0.82011471 0.20433825 1.0 Tb Tb3 1 0.50000000 0.17988529 0.20433825 1.0 Tb Tb4 1 0.00000000 0.67988529 0.79566175 1.0 Tb Tb5 1 0.00000000 0.32011471 0.79566175 1.0 Cr Cr6 1 0.50000000 0.50000000 0.16172012 1.0 Cr Cr7 1 0.00000000 0.00000000 0.83827988 1.0 Cr Cr8 1 0.00000000 0.50000000 0.98857769 1.0 Cr Cr9 1 0.50000000 0.00000000 0.01142231 1.0 P P10 1 0.50000000 0.50000000 0.88031224 1.0 P P11 1 0.00000000 0.00000000 0.11968776 1.0 P P12 1 0.50000000 0.50000000 0.35164938 1.0 P P13 1 0.00000000 0.00000000 0.64835062 1.0 P P14 1 0.50000000 0.31318015 0.61815826 1.0 P P15 1 0.50000000 0.68681985 0.61815826 1.0 P P16 1 0.00000000 0.18681985 0.38184174 1.0 P P17 1 0.00000000 0.81318015 0.38184174 1.0 P P18 1 0.50000000 0.84614958 0.89271948 1.0 P P19 1 0.50000000 0.15385042 0.89271948 1.0 P P20 1 0.00000000 0.65385042 0.10728052 1.0 P P21 1 0.00000000 0.34614958 0.10728052 1.0 Rh Rh22 1 0.50000000 0.50000000 0.69876821 1.0 Rh Rh23 1 0.00000000 0.00000000 0.30123179 1.0 Rh Rh24 1 0.50000000 0.33561134 0.99342575 1.0 Rh Rh25 1 0.50000000 0.66438866 0.99342575 1.0 Rh Rh26 1 0.00000000 0.16438866 0.00657425 1.0 Rh Rh27 1 0.00000000 0.83561134 0.00657425 1.0 Rh Rh28 1 0.50000000 0.29341448 0.43049428 1.0 Rh Rh29 1 0.50000000 0.70658552 0.43049428 1.0 Rh Rh30 1 0.00000000 0.20658552 0.56950572 1.0 Rh Rh31 1 0.00000000 0.79341448 0.56950572 1.0 Rh Rh32 1 0.50000000 0.87455239 0.71088159 1.0 Rh Rh33 1 0.50000000 0.12544761 0.71088159 1.0 Rh Rh34 1 0.00000000 0.62544761 0.28911841 1.0 Rh Rh35 1 0.00000000 0.37455239 0.28911841 1.0