# generated using pymatgen data_Tm3Pa(Ga3Rh)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.48627688 _cell_length_b 7.48828865 _cell_length_c 9.37391770 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.79923421 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm3Pa(Ga3Rh)6 _chemical_formula_sum 'Tm3 Pa1 Ga18 Rh6' _cell_volume 456.01095768 _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 Tm Tm0 1 0.00221393 0.33091130 0.75000000 1.0 Tm Tm1 1 0.67047436 0.99717327 0.25000000 1.0 Tm Tm2 1 0.33087469 0.00263234 0.75000000 1.0 Pa Pa3 1 0.99869308 0.66909993 0.25000000 1.0 Ga Ga4 1 0.13111068 0.13041769 0.25000000 1.0 Ga Ga5 1 0.87316025 0.87516489 0.75000000 1.0 Ga Ga6 1 0.00011575 0.32961582 0.07714837 1.0 Ga Ga7 1 0.99952765 0.66549152 0.91675691 1.0 Ga Ga8 1 0.99952765 0.66549152 0.58324309 1.0 Ga Ga9 1 0.33946793 0.00459834 0.42240469 1.0 Ga Ga10 1 0.00011575 0.32961582 0.42285163 1.0 Ga Ga11 1 0.66531270 0.00034538 0.57914041 1.0 Ga Ga12 1 0.66531270 0.00034538 0.92085959 1.0 Ga Ga13 1 0.33946793 0.00459834 0.07759531 1.0 Ga Ga14 1 0.33245643 0.33266751 0.57165621 1.0 Ga Ga15 1 0.66214268 0.66604456 0.43359797 1.0 Ga Ga16 1 0.66214268 0.66604456 0.06640203 1.0 Ga Ga17 1 0.33245643 0.33266751 0.92834379 1.0 Ga Ga18 1 0.33703908 0.54430193 0.25000000 1.0 Ga Ga19 1 0.66202432 0.45249297 0.75000000 1.0 Ga Ga20 1 0.54459849 0.33820638 0.25000000 1.0 Ga Ga21 1 0.45282712 0.66436623 0.75000000 1.0 Rh Rh22 1 0.67372118 0.33133124 0.00160800 1.0 Rh Rh23 1 0.32598262 0.67089956 0.00181505 1.0 Rh Rh24 1 0.32598262 0.67089956 0.49818495 1.0 Rh Rh25 1 0.67372118 0.33133124 0.49839200 1.0 Rh Rh26 1 0.99976507 0.99662359 0.00218930 1.0 Rh Rh27 1 0.99976507 0.99662359 0.49781070 1.0