# generated using pymatgen data_TmCrFe4P3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.60518815 _cell_length_b 10.57665880 _cell_length_c 11.94689847 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TmCrFe4P3 _chemical_formula_sum 'Tm4 Cr4 Fe16 P12' _cell_volume 455.54533375 _cell_formula_units_Z 4 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 0.25000000 0.58313701 0.70561510 1.0 Tm Tm1 1 0.25000000 0.91686299 0.20561510 1.0 Tm Tm2 1 0.75000000 0.41686299 0.29438490 1.0 Tm Tm3 1 0.75000000 0.08313701 0.79438490 1.0 Cr Cr4 1 0.25000000 0.70302515 0.98004157 1.0 Cr Cr5 1 0.25000000 0.79697485 0.48004157 1.0 Cr Cr6 1 0.75000000 0.29697485 0.01995843 1.0 Cr Cr7 1 0.75000000 0.20302515 0.51995843 1.0 Fe Fe8 1 0.25000000 0.40411440 0.48759254 1.0 Fe Fe9 1 0.25000000 0.09588560 0.98759254 1.0 Fe Fe10 1 0.75000000 0.59588560 0.51240746 1.0 Fe Fe11 1 0.75000000 0.90411440 0.01240746 1.0 Fe Fe12 1 0.25000000 0.21727043 0.17748226 1.0 Fe Fe13 1 0.25000000 0.28272957 0.67748226 1.0 Fe Fe14 1 0.75000000 0.78272957 0.82251774 1.0 Fe Fe15 1 0.75000000 0.71727043 0.32251774 1.0 Fe Fe16 1 0.25000000 0.87426787 0.70460314 1.0 Fe Fe17 1 0.25000000 0.62573213 0.20460314 1.0 Fe Fe18 1 0.75000000 0.12573213 0.29539686 1.0 Fe Fe19 1 0.75000000 0.37426787 0.79539686 1.0 Fe Fe20 1 0.25000000 0.46051809 0.93343379 1.0 Fe Fe21 1 0.25000000 0.03948191 0.43343379 1.0 Fe Fe22 1 0.75000000 0.53948191 0.06656621 1.0 Fe Fe23 1 0.75000000 0.96051809 0.56656621 1.0 P P24 1 0.25000000 0.42508559 0.11494456 1.0 P P25 1 0.25000000 0.07491441 0.61494456 1.0 P P26 1 0.75000000 0.57491441 0.88505544 1.0 P P27 1 0.75000000 0.92508559 0.38505544 1.0 P P28 1 0.25000000 0.26393845 0.87466380 1.0 P P29 1 0.25000000 0.23606155 0.37466380 1.0 P P30 1 0.75000000 0.73606155 0.12533620 1.0 P P31 1 0.75000000 0.76393845 0.62533620 1.0 P P32 1 0.25000000 0.58936105 0.39606081 1.0 P P33 1 0.25000000 0.91063895 0.89606081 1.0 P P34 1 0.75000000 0.41063895 0.60393919 1.0 P P35 1 0.75000000 0.08936105 0.10393919 1.0