# generated using pymatgen data_LiTm6Ni17As12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.84610238 _cell_length_b 10.81091291 _cell_length_c 12.59475247 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTm6Ni17As12 _chemical_formula_sum 'Li1 Tm6 Ni17 As12' _cell_volume 523.68826966 _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 Li Li0 1 0.50000000 0.50000000 0.14915318 1.0 Tm Tm1 1 0.00000000 0.50000000 0.52412401 1.0 Tm Tm2 1 0.50000000 0.00000000 0.47702825 1.0 Tm Tm3 1 0.50000000 0.81886871 0.20874598 1.0 Tm Tm4 1 0.50000000 0.18113129 0.20874598 1.0 Tm Tm5 1 0.00000000 0.68037489 0.79432262 1.0 Tm Tm6 1 0.00000000 0.31962511 0.79432262 1.0 Ni Ni7 1 0.00000000 0.00000000 0.84275138 1.0 Ni Ni8 1 0.50000000 0.50000000 0.70176193 1.0 Ni Ni9 1 0.00000000 0.00000000 0.30165815 1.0 Ni Ni10 1 0.00000000 0.50000000 0.98646249 1.0 Ni Ni11 1 0.50000000 0.00000000 0.01682583 1.0 Ni Ni12 1 0.50000000 0.32650224 0.99634887 1.0 Ni Ni13 1 0.50000000 0.67349776 0.99634887 1.0 Ni Ni14 1 0.00000000 0.16274885 0.99958386 1.0 Ni Ni15 1 0.00000000 0.83725115 0.99958386 1.0 Ni Ni16 1 0.50000000 0.30412020 0.42718944 1.0 Ni Ni17 1 0.50000000 0.69587980 0.42718944 1.0 Ni Ni18 1 0.00000000 0.19581515 0.57447445 1.0 Ni Ni19 1 0.00000000 0.80418485 0.57447445 1.0 Ni Ni20 1 0.50000000 0.87871991 0.70629144 1.0 Ni Ni21 1 0.50000000 0.12128009 0.70629144 1.0 Ni Ni22 1 0.00000000 0.62117541 0.29290179 1.0 Ni Ni23 1 0.00000000 0.37882459 0.29290179 1.0 As As24 1 0.50000000 0.50000000 0.88025777 1.0 As As25 1 0.00000000 0.00000000 0.12434888 1.0 As As26 1 0.50000000 0.50000000 0.34849190 1.0 As As27 1 0.00000000 0.00000000 0.65380177 1.0 As As28 1 0.50000000 0.31575790 0.61429314 1.0 As As29 1 0.50000000 0.68424210 0.61429314 1.0 As As30 1 0.00000000 0.18503882 0.38793172 1.0 As As31 1 0.00000000 0.81496118 0.38793172 1.0 As As32 1 0.50000000 0.84792541 0.88725585 1.0 As As33 1 0.50000000 0.15207459 0.88725585 1.0 As As34 1 0.00000000 0.66058732 0.10732756 1.0 As As35 1 0.00000000 0.33941268 0.10732756 1.0