# generated using pymatgen data_Tm3Nb(Ni4P3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.72424735 _cell_length_b 10.59657061 _cell_length_c 12.25052095 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm3Nb(Ni4P3)2 _chemical_formula_sum 'Tm6 Nb2 Ni16 P12' _cell_volume 483.45762092 _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 0.52604470 1.0 Tm Tm1 1 0.50000000 0.00000000 0.47395530 1.0 Tm Tm2 1 0.50000000 0.82050978 0.20748445 1.0 Tm Tm3 1 0.50000000 0.17949022 0.20748445 1.0 Tm Tm4 1 0.00000000 0.67949022 0.79251555 1.0 Tm Tm5 1 0.00000000 0.32050978 0.79251555 1.0 Nb Nb6 1 0.50000000 0.50000000 0.15430322 1.0 Nb Nb7 1 0.00000000 0.00000000 0.84569678 1.0 Ni Ni8 1 0.50000000 0.50000000 0.70005693 1.0 Ni Ni9 1 0.00000000 0.00000000 0.29994307 1.0 Ni Ni10 1 0.00000000 0.50000000 0.98336850 1.0 Ni Ni11 1 0.50000000 0.00000000 0.01663150 1.0 Ni Ni12 1 0.50000000 0.33464667 0.98618307 1.0 Ni Ni13 1 0.50000000 0.66535333 0.98618307 1.0 Ni Ni14 1 0.00000000 0.16535333 0.01381693 1.0 Ni Ni15 1 0.00000000 0.83464667 0.01381693 1.0 Ni Ni16 1 0.50000000 0.30183079 0.42919787 1.0 Ni Ni17 1 0.50000000 0.69816921 0.42919787 1.0 Ni Ni18 1 0.00000000 0.19816921 0.57080213 1.0 Ni Ni19 1 0.00000000 0.80183079 0.57080213 1.0 Ni Ni20 1 0.50000000 0.87679436 0.70700092 1.0 Ni Ni21 1 0.50000000 0.12320564 0.70700092 1.0 Ni Ni22 1 0.00000000 0.62320564 0.29299908 1.0 Ni Ni23 1 0.00000000 0.37679436 0.29299908 1.0 P P24 1 0.50000000 0.50000000 0.87680537 1.0 P P25 1 0.00000000 0.00000000 0.12319463 1.0 P P26 1 0.50000000 0.50000000 0.35498162 1.0 P P27 1 0.00000000 0.00000000 0.64501838 1.0 P P28 1 0.50000000 0.31501073 0.61438038 1.0 P P29 1 0.50000000 0.68498927 0.61438038 1.0 P P30 1 0.00000000 0.18498927 0.38561962 1.0 P P31 1 0.00000000 0.81501073 0.38561962 1.0 P P32 1 0.50000000 0.84073829 0.89291535 1.0 P P33 1 0.50000000 0.15926171 0.89291535 1.0 P P34 1 0.00000000 0.65926171 0.10708465 1.0 P P35 1 0.00000000 0.34073829 0.10708465 1.0