# generated using pymatgen data_Tm5Sc3(Ni4P3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.19718088 _cell_length_b 12.19718200 _cell_length_c 3.74840840 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000494 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm5Sc3(Ni4P3)4 _chemical_formula_sum 'Tm5 Sc3 Ni16 P12' _cell_volume 482.94367301 _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 0.18338094 0.18338094 0.50000000 1.0 Tm Tm1 1 0.81661906 1.00000000 0.50000000 1.0 Tm Tm2 1 1.00000000 0.81661906 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 Sc Sc5 1 0.56334039 0.56334039 0.00000000 1.0 Sc Sc6 1 0.43665961 1.00000000 0.00000000 1.0 Sc Sc7 1 1.00000000 0.43665961 0.00000000 1.0 Ni Ni8 1 0.72434238 0.72434238 0.50000000 1.0 Ni Ni9 1 0.27565762 0.00000000 0.50000000 1.0 Ni Ni10 1 0.00000000 0.27565762 0.50000000 1.0 Ni Ni11 1 0.18697584 0.37810760 0.00000000 1.0 Ni Ni12 1 0.62189240 0.80886824 0.00000000 1.0 Ni Ni13 1 0.19113176 0.81302416 0.00000000 1.0 Ni Ni14 1 0.80886824 0.62189240 0.00000000 1.0 Ni Ni15 1 0.81302416 0.19113176 0.00000000 1.0 Ni Ni16 1 0.37810760 0.18697584 0.00000000 1.0 Ni Ni17 1 0.36102811 0.48452391 0.50000000 1.0 Ni Ni18 1 0.51547609 0.87650620 0.50000000 1.0 Ni Ni19 1 0.12349380 0.63897189 0.50000000 1.0 Ni Ni20 1 0.87650620 0.51547609 0.50000000 1.0 Ni Ni21 1 0.63897189 0.12349380 0.50000000 1.0 Ni Ni22 1 0.48452391 0.36102811 0.50000000 1.0 Ni Ni23 1 0.00000000 0.00000000 0.00000000 1.0 P P24 1 0.82240095 0.82240095 0.00000000 1.0 P P25 1 0.17759905 0.00000000 0.00000000 1.0 P P26 1 0.00000000 0.17759905 0.00000000 1.0 P P27 1 0.17133262 0.47647122 0.50000000 1.0 P P28 1 0.52352878 0.69486140 0.50000000 1.0 P P29 1 0.30513860 0.82866738 0.50000000 1.0 P P30 1 0.69486140 0.52352878 0.50000000 1.0 P P31 1 0.82866738 0.30513860 0.50000000 1.0 P P32 1 0.47647122 0.17133262 0.50000000 1.0 P P33 1 0.35464345 0.35464345 0.00000000 1.0 P P34 1 0.64535655 0.00000000 0.00000000 1.0 P P35 1 0.00000000 0.64535655 0.00000000 1.0