# generated using pymatgen data_Tm4ScSn3N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.65984511 _cell_length_b 8.65984609 _cell_length_c 6.25593020 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999251 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm4ScSn3N _chemical_formula_sum 'Tm8 Sc2 Sn6 N2' _cell_volume 406.29629035 _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 0.33333300 0.66666700 0.50000000 1.0 Tm Tm1 1 0.66666700 0.33333300 0.50000000 1.0 Tm Tm2 1 0.78545005 0.78545005 0.75089873 1.0 Tm Tm3 1 0.21454995 0.00000000 0.75089873 1.0 Tm Tm4 1 0.00000000 0.21454995 0.75089873 1.0 Tm Tm5 1 0.21454995 0.21454995 0.24910127 1.0 Tm Tm6 1 0.78545005 1.00000000 0.24910127 1.0 Tm Tm7 1 1.00000000 0.78545005 0.24910127 1.0 Sc Sc8 1 0.66666700 0.33333300 0.00000000 1.0 Sc Sc9 1 0.33333300 0.66666700 0.00000000 1.0 Sn Sn10 1 0.40484064 0.40484064 0.75900542 1.0 Sn Sn11 1 0.59515936 1.00000000 0.75900542 1.0 Sn Sn12 1 1.00000000 0.59515936 0.75900542 1.0 Sn Sn13 1 0.59515936 0.59515936 0.24099458 1.0 Sn Sn14 1 0.40484064 0.00000000 0.24099458 1.0 Sn Sn15 1 0.00000000 0.40484064 0.24099458 1.0 N N16 1 0.00000000 0.00000000 0.00000000 1.0 N N17 1 0.00000000 0.00000000 0.50000000 1.0