# generated using pymatgen data_TmZr3(Ga3Rh)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.40953531 _cell_length_b 7.40705862 _cell_length_c 9.30288947 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.95996615 _symmetry_Int_Tables_number 1 _chemical_formula_structural TmZr3(Ga3Rh)6 _chemical_formula_sum 'Tm1 Zr3 Ga18 Rh6' _cell_volume 442.34416506 _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 0.33067032 0.00386192 0.75000000 1.0 Zr Zr1 1 0.99637121 0.67054005 0.25000000 1.0 Zr Zr2 1 0.00495767 0.33148237 0.75000000 1.0 Zr Zr3 1 0.66888445 0.99582275 0.25000000 1.0 Ga Ga4 1 0.12346973 0.12492672 0.25000000 1.0 Ga Ga5 1 0.87264099 0.87418593 0.75000000 1.0 Ga Ga6 1 0.99746171 0.33380200 0.08001510 1.0 Ga Ga7 1 0.00028262 0.66389552 0.92208549 1.0 Ga Ga8 1 0.00028262 0.66389552 0.57791451 1.0 Ga Ga9 1 0.33398402 0.99828361 0.41698286 1.0 Ga Ga10 1 0.99746171 0.33380200 0.41998490 1.0 Ga Ga11 1 0.66845240 0.00202348 0.57848601 1.0 Ga Ga12 1 0.66845240 0.00202348 0.92151399 1.0 Ga Ga13 1 0.33398402 0.99828361 0.08301714 1.0 Ga Ga14 1 0.33228824 0.33418388 0.57123252 1.0 Ga Ga15 1 0.66759022 0.66772752 0.42547629 1.0 Ga Ga16 1 0.66759022 0.66772752 0.07452371 1.0 Ga Ga17 1 0.33228824 0.33418388 0.92876748 1.0 Ga Ga18 1 0.33458045 0.54918360 0.25000000 1.0 Ga Ga19 1 0.66699578 0.45349367 0.75000000 1.0 Ga Ga20 1 0.55173385 0.33607005 0.25000000 1.0 Ga Ga21 1 0.45010797 0.66198608 0.75000000 1.0 Rh Rh22 1 0.67174798 0.32781306 0.00064390 1.0 Rh Rh23 1 0.32850393 0.67253564 0.00140495 1.0 Rh Rh24 1 0.32850393 0.67253564 0.49859505 1.0 Rh Rh25 1 0.67174798 0.32781306 0.49935610 1.0 Rh Rh26 1 0.99948467 0.99895971 0.00110335 1.0 Rh Rh27 1 0.99948467 0.99895971 0.49889665 1.0