# generated using pymatgen data_Tm3Zr(Ga3Rh)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.44170323 _cell_length_b 7.43278210 _cell_length_c 9.38205042 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.87528656 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm3Zr(Ga3Rh)6 _chemical_formula_sum 'Tm3 Zr1 Ga18 Rh6' _cell_volume 449.98345624 _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 0.00264945 0.32924480 0.75000000 1.0 Tm Tm1 1 0.66924489 0.99873756 0.25000000 1.0 Tm Tm2 1 0.33095840 0.00293614 0.75000000 1.0 Zr Zr3 1 0.99885942 0.66958740 0.25000000 1.0 Ga Ga4 1 0.12493947 0.12418342 0.25000000 1.0 Ga Ga5 1 0.87223292 0.87149083 0.75000000 1.0 Ga Ga6 1 0.00007753 0.33675290 0.08114785 1.0 Ga Ga7 1 0.99954202 0.66536091 0.92393280 1.0 Ga Ga8 1 0.99954202 0.66536091 0.57606720 1.0 Ga Ga9 1 0.33189503 0.99862873 0.41849434 1.0 Ga Ga10 1 0.00007753 0.33675290 0.41885215 1.0 Ga Ga11 1 0.66557085 0.99861930 0.57852003 1.0 Ga Ga12 1 0.66557085 0.99861930 0.92147997 1.0 Ga Ga13 1 0.33189503 0.99862873 0.08150566 1.0 Ga Ga14 1 0.33478637 0.33470669 0.56721601 1.0 Ga Ga15 1 0.66878784 0.66675399 0.42772464 1.0 Ga Ga16 1 0.66878784 0.66675399 0.07227536 1.0 Ga Ga17 1 0.33478637 0.33470669 0.93278399 1.0 Ga Ga18 1 0.33442014 0.54682061 0.25000000 1.0 Ga Ga19 1 0.66343075 0.45374075 0.75000000 1.0 Ga Ga20 1 0.55007322 0.33850905 0.25000000 1.0 Ga Ga21 1 0.45211515 0.66235286 0.75000000 1.0 Rh Rh22 1 0.67173446 0.32836663 0.00091558 1.0 Rh Rh23 1 0.32842400 0.67231704 0.00167589 1.0 Rh Rh24 1 0.32842400 0.67231704 0.49832411 1.0 Rh Rh25 1 0.67173446 0.32836663 0.49908442 1.0 Rh Rh26 1 0.99971898 0.99969109 0.00089378 1.0 Rh Rh27 1 0.99971898 0.99969109 0.49910622 1.0