# generated using pymatgen data_Tm6Mn11P12Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.71670509 _cell_length_b 11.02723516 _cell_length_c 12.86943485 _cell_angle_alpha 89.88841076 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm6Mn11P12Ir7 _chemical_formula_sum 'Tm6 Mn11 P12 Ir7' _cell_volume 527.45254257 _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 0.00000000 0.49932459 0.52621187 1.0 Tm Tm1 1 0.50000000 0.99829408 0.47394871 1.0 Tm Tm2 1 0.50000000 0.82213981 0.20404803 1.0 Tm Tm3 1 0.50000000 0.17743251 0.20573897 1.0 Tm Tm4 1 0.00000000 0.68055394 0.79589294 1.0 Tm Tm5 1 0.00000000 0.32352896 0.79424837 1.0 Mn Mn6 1 0.50000000 0.50255119 0.16514347 1.0 Mn Mn7 1 0.00000000 0.99718822 0.83568128 1.0 Mn Mn8 1 0.00000000 0.49941348 0.99357964 1.0 Mn Mn9 1 0.50000000 0.00153303 0.00652926 1.0 Mn Mn10 1 0.50000000 0.33314526 0.99704510 1.0 Mn Mn11 1 0.50000000 0.66676312 0.99654796 1.0 Mn Mn12 1 0.00000000 0.16796748 0.00209961 1.0 Mn Mn13 1 0.00000000 0.83341437 0.00421478 1.0 Mn Mn14 1 0.50000000 0.29140126 0.43805481 1.0 Mn Mn15 1 0.50000000 0.69795283 0.43067580 1.0 Mn Mn16 1 0.00000000 0.20438631 0.56376149 1.0 P P17 1 0.50000000 0.50053316 0.88594087 1.0 P P18 1 0.00000000 0.00121687 0.11387099 1.0 P P19 1 0.50000000 0.49104072 0.35979465 1.0 P P20 1 0.00000000 0.00197793 0.64180140 1.0 P P21 1 0.50000000 0.31976663 0.61703975 1.0 P P22 1 0.50000000 0.68551947 0.62102401 1.0 P P23 1 0.00000000 0.18140233 0.38324505 1.0 P P24 1 0.00000000 0.81864831 0.37769421 1.0 P P25 1 0.50000000 0.84128915 0.89189435 1.0 P P26 1 0.50000000 0.16002436 0.88817152 1.0 P P27 1 0.00000000 0.65928833 0.10918182 1.0 P P28 1 0.00000000 0.34079775 0.11198666 1.0 Ir Ir29 1 0.50000000 0.50306293 0.70551285 1.0 Ir Ir30 1 0.00000000 0.00147446 0.29301457 1.0 Ir Ir31 1 0.00000000 0.79090971 0.56105546 1.0 Ir Ir32 1 0.50000000 0.87651458 0.71105340 1.0 Ir Ir33 1 0.50000000 0.12971905 0.70279989 1.0 Ir Ir34 1 0.00000000 0.62680757 0.29328092 1.0 Ir Ir35 1 0.00000000 0.37301625 0.29821653 1.0