# generated using pymatgen data_Tm5Nb3(Ni4As3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.55651005 _cell_length_b 12.55650961 _cell_length_c 3.84445746 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000374 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm5Nb3(Ni4As3)4 _chemical_formula_sum 'Tm5 Nb3 Ni16 As12' _cell_volume 524.93261499 _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 0.18467919 0.18467919 0.50000000 1.0 Tm Tm1 1 0.81532081 1.00000000 0.50000000 1.0 Tm Tm2 1 1.00000000 0.81532081 0.50000000 1.0 Tm Tm3 1 0.33333300 0.66666700 0.00000000 1.0 Tm Tm4 1 0.66666700 0.33333300 0.00000000 1.0 Nb Nb5 1 0.56203875 0.56203875 0.00000000 1.0 Nb Nb6 1 0.43796125 1.00000000 0.00000000 1.0 Nb Nb7 1 1.00000000 0.43796125 0.00000000 1.0 Ni Ni8 1 0.72172724 0.72172724 0.50000000 1.0 Ni Ni9 1 0.27827276 0.00000000 0.50000000 1.0 Ni Ni10 1 0.00000000 0.27827276 0.50000000 1.0 Ni Ni11 1 0.18187320 0.37464055 0.00000000 1.0 Ni Ni12 1 0.62535945 0.80723264 0.00000000 1.0 Ni Ni13 1 0.19276736 0.81812680 0.00000000 1.0 Ni Ni14 1 0.80723264 0.62535945 0.00000000 1.0 Ni Ni15 1 0.81812680 0.19276736 0.00000000 1.0 Ni Ni16 1 0.37464055 0.18187320 0.00000000 1.0 Ni Ni17 1 0.36039508 0.48367382 0.50000000 1.0 Ni Ni18 1 0.51632618 0.87672127 0.50000000 1.0 Ni Ni19 1 0.12327873 0.63960492 0.50000000 1.0 Ni Ni20 1 0.87672127 0.51632618 0.50000000 1.0 Ni Ni21 1 0.63960492 0.12327873 0.50000000 1.0 Ni Ni22 1 0.48367382 0.36039508 0.50000000 1.0 Ni Ni23 1 0.00000000 0.00000000 0.00000000 1.0 As As24 1 0.82273804 0.82273804 0.00000000 1.0 As As25 1 0.17726196 0.00000000 0.00000000 1.0 As As26 1 0.00000000 0.17726196 0.00000000 1.0 As As27 1 0.17021596 0.48076141 0.50000000 1.0 As As28 1 0.51923859 0.68945455 0.50000000 1.0 As As29 1 0.31054545 0.82978404 0.50000000 1.0 As As30 1 0.68945455 0.51923859 0.50000000 1.0 As As31 1 0.82978404 0.31054545 0.50000000 1.0 As As32 1 0.48076141 0.17021596 0.50000000 1.0 As As33 1 0.35945470 0.35945470 0.00000000 1.0 As As34 1 0.64054530 0.00000000 0.00000000 1.0 As As35 1 0.00000000 0.64054530 0.00000000 1.0