# generated using pymatgen data_Tm3Hf(Ni4P3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.74402025 _cell_length_b 10.64121746 _cell_length_c 12.28080202 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm3Hf(Ni4P3)2 _chemical_formula_sum 'Tm6 Hf2 Ni16 P12' _cell_volume 489.27861851 _cell_formula_units_Z 2 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 0.52840379 1.0 Tm Tm1 1 0.50000000 0.00000000 0.47159621 1.0 Tm Tm2 1 0.50000000 0.82177468 0.20565647 1.0 Tm Tm3 1 0.50000000 0.17822532 0.20565647 1.0 Tm Tm4 1 0.00000000 0.67822532 0.79434353 1.0 Tm Tm5 1 0.00000000 0.32177468 0.79434353 1.0 Hf Hf6 1 0.50000000 0.50000000 0.15470081 1.0 Hf Hf7 1 0.00000000 0.00000000 0.84529919 1.0 Ni Ni8 1 0.50000000 0.50000000 0.70078049 1.0 Ni Ni9 1 0.00000000 0.00000000 0.29921951 1.0 Ni Ni10 1 0.00000000 0.50000000 0.98356845 1.0 Ni Ni11 1 0.50000000 0.00000000 0.01643155 1.0 Ni Ni12 1 0.50000000 0.33533839 0.98852148 1.0 Ni Ni13 1 0.50000000 0.66466161 0.98852148 1.0 Ni Ni14 1 0.00000000 0.16466161 0.01147852 1.0 Ni Ni15 1 0.00000000 0.83533839 0.01147852 1.0 Ni Ni16 1 0.50000000 0.30053871 0.43013216 1.0 Ni Ni17 1 0.50000000 0.69946129 0.43013216 1.0 Ni Ni18 1 0.00000000 0.19946129 0.56986784 1.0 Ni Ni19 1 0.00000000 0.80053871 0.56986784 1.0 Ni Ni20 1 0.50000000 0.87712573 0.70636052 1.0 Ni Ni21 1 0.50000000 0.12287427 0.70636052 1.0 Ni Ni22 1 0.00000000 0.62287427 0.29363948 1.0 Ni Ni23 1 0.00000000 0.37712573 0.29363948 1.0 P P24 1 0.50000000 0.50000000 0.87815664 1.0 P P25 1 0.00000000 0.00000000 0.12184336 1.0 P P26 1 0.50000000 0.50000000 0.36141376 1.0 P P27 1 0.00000000 0.00000000 0.63858624 1.0 P P28 1 0.50000000 0.31439713 0.61502561 1.0 P P29 1 0.50000000 0.68560287 0.61502561 1.0 P P30 1 0.00000000 0.18560287 0.38497439 1.0 P P31 1 0.00000000 0.81439713 0.38497439 1.0 P P32 1 0.50000000 0.83791755 0.89311157 1.0 P P33 1 0.50000000 0.16208245 0.89311157 1.0 P P34 1 0.00000000 0.66208245 0.10688843 1.0 P P35 1 0.00000000 0.33791755 0.10688843 1.0