# generated using pymatgen data_Tm2CrP4Rh5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85624436 _cell_length_b 11.12824443 _cell_length_c 12.62712737 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm2CrP4Rh5 _chemical_formula_sum 'Tm6 Cr3 P12 Rh15' _cell_volume 541.87081941 _cell_formula_units_Z 3 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 0.50000000 0.52191708 1.0 Tm Tm1 1 0.50000000 0.00000000 0.47788353 1.0 Tm Tm2 1 0.50000000 0.81816268 0.20412934 1.0 Tm Tm3 1 0.50000000 0.18183732 0.20412934 1.0 Tm Tm4 1 0.00000000 0.67974483 0.79446047 1.0 Tm Tm5 1 0.00000000 0.32025517 0.79446047 1.0 Cr Cr6 1 0.50000000 0.50000000 0.16370222 1.0 Cr Cr7 1 0.00000000 0.00000000 0.83670174 1.0 Cr Cr8 1 0.00000000 0.50000000 0.98813405 1.0 P P9 1 0.50000000 0.50000000 0.87807712 1.0 P P10 1 0.00000000 0.00000000 0.12028376 1.0 P P11 1 0.50000000 0.50000000 0.35497534 1.0 P P12 1 0.00000000 0.00000000 0.64496518 1.0 P P13 1 0.50000000 0.31381815 0.61864417 1.0 P P14 1 0.50000000 0.68618185 0.61864417 1.0 P P15 1 0.00000000 0.18461739 0.38120542 1.0 P P16 1 0.00000000 0.81538261 0.38120542 1.0 P P17 1 0.50000000 0.84306064 0.89169979 1.0 P P18 1 0.50000000 0.15693936 0.89169979 1.0 P P19 1 0.00000000 0.65350756 0.10904570 1.0 P P20 1 0.00000000 0.34649244 0.10904570 1.0 Rh Rh21 1 0.50000000 0.50000000 0.69779912 1.0 Rh Rh22 1 0.00000000 0.00000000 0.29847363 1.0 Rh Rh23 1 0.50000000 0.00000000 0.01551699 1.0 Rh Rh24 1 0.50000000 0.33556895 0.99089993 1.0 Rh Rh25 1 0.50000000 0.66443105 0.99089993 1.0 Rh Rh26 1 0.00000000 0.16719996 0.00747296 1.0 Rh Rh27 1 0.00000000 0.83280004 0.00747296 1.0 Rh Rh28 1 0.50000000 0.29456735 0.43149537 1.0 Rh Rh29 1 0.50000000 0.70543265 0.43149537 1.0 Rh Rh30 1 0.00000000 0.20389004 0.56939279 1.0 Rh Rh31 1 0.00000000 0.79610996 0.56939279 1.0 Rh Rh32 1 0.50000000 0.87379078 0.71233952 1.0 Rh Rh33 1 0.50000000 0.12620922 0.71233952 1.0 Rh Rh34 1 0.00000000 0.62647820 0.29000065 1.0 Rh Rh35 1 0.00000000 0.37352180 0.29000065 1.0