# generated using pymatgen data_Tm3Ni9As5P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81418732 _cell_length_b 10.71133854 _cell_length_c 12.51436085 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm3Ni9As5P _chemical_formula_sum 'Tm6 Ni18 As10 P2' _cell_volume 511.27485871 _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 0.52342915 1.0 Tm Tm1 1 0.50000000 0.00000000 0.47657085 1.0 Tm Tm2 1 0.50000000 0.82115318 0.20483231 1.0 Tm Tm3 1 0.50000000 0.17884682 0.20483231 1.0 Tm Tm4 1 0.00000000 0.67884682 0.79516769 1.0 Tm Tm5 1 0.00000000 0.32115318 0.79516769 1.0 Ni Ni6 1 0.50000000 0.50000000 0.15296508 1.0 Ni Ni7 1 0.00000000 0.00000000 0.84703492 1.0 Ni Ni8 1 0.50000000 0.50000000 0.70715756 1.0 Ni Ni9 1 0.00000000 0.00000000 0.29284244 1.0 Ni Ni10 1 0.00000000 0.50000000 0.97574297 1.0 Ni Ni11 1 0.50000000 0.00000000 0.02425703 1.0 Ni Ni12 1 0.50000000 0.33763195 0.99177188 1.0 Ni Ni13 1 0.50000000 0.66236805 0.99177188 1.0 Ni Ni14 1 0.00000000 0.16236805 0.00822812 1.0 Ni Ni15 1 0.00000000 0.83763195 0.00822812 1.0 Ni Ni16 1 0.50000000 0.30451322 0.42690785 1.0 Ni Ni17 1 0.50000000 0.69548678 0.42690785 1.0 Ni Ni18 1 0.00000000 0.19548678 0.57309215 1.0 Ni Ni19 1 0.00000000 0.80451322 0.57309215 1.0 Ni Ni20 1 0.50000000 0.87823185 0.70888524 1.0 Ni Ni21 1 0.50000000 0.12176815 0.70888524 1.0 Ni Ni22 1 0.00000000 0.62176815 0.29111476 1.0 Ni Ni23 1 0.00000000 0.37823185 0.29111476 1.0 As As24 1 0.50000000 0.50000000 0.34450372 1.0 As As25 1 0.00000000 0.00000000 0.65549628 1.0 As As26 1 0.50000000 0.31663959 0.61491823 1.0 As As27 1 0.50000000 0.68336041 0.61491823 1.0 As As28 1 0.00000000 0.18336041 0.38508177 1.0 As As29 1 0.00000000 0.81663959 0.38508177 1.0 As As30 1 0.50000000 0.84704395 0.89168259 1.0 As As31 1 0.50000000 0.15295605 0.89168259 1.0 As As32 1 0.00000000 0.65295605 0.10831741 1.0 As As33 1 0.00000000 0.34704395 0.10831741 1.0 P P34 1 0.50000000 0.50000000 0.87785662 1.0 P P35 1 0.00000000 0.00000000 0.12214338 1.0