# generated using pymatgen data_Tm2Sc3Ni9As7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.64778015 _cell_length_b 9.64777968 _cell_length_c 3.84729408 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000071 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm2Sc3Ni9As7 _chemical_formula_sum 'Tm2 Sc3 Ni9 As7' _cell_volume 310.12786401 _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 0.00000000 0.00000000 1.0 Tm Tm1 1 0.66666700 0.33333300 0.50000000 1.0 Sc Sc2 1 0.44961899 0.55168701 0.50000000 1.0 Sc Sc3 1 0.44831299 0.89793297 0.50000000 1.0 Sc Sc4 1 0.10206703 0.55038101 0.50000000 1.0 Ni Ni5 1 0.68783576 0.59828795 0.00000000 1.0 Ni Ni6 1 0.40171205 0.08954781 0.00000000 1.0 Ni Ni7 1 0.91045219 0.31216424 0.00000000 1.0 Ni Ni8 1 0.20402482 0.38006494 0.00000000 1.0 Ni Ni9 1 0.61993506 0.82395988 0.00000000 1.0 Ni Ni10 1 0.17604012 0.79597518 0.00000000 1.0 Ni Ni11 1 0.27814348 0.22067269 0.50000000 1.0 Ni Ni12 1 0.77932731 0.05746979 0.50000000 1.0 Ni Ni13 1 0.94253021 0.72185652 0.50000000 1.0 As As14 1 0.43975914 0.34716903 0.00000000 1.0 As As15 1 0.65283097 0.09259112 0.00000000 1.0 As As16 1 0.90740888 0.56024086 0.00000000 1.0 As As17 1 0.04707698 0.25085634 0.50000000 1.0 As As18 1 0.74914366 0.79622164 0.50000000 1.0 As As19 1 0.20377836 0.95292302 0.50000000 1.0 As As20 1 0.33333300 0.66666700 0.00000000 1.0