# generated using pymatgen data_Tm5Sc3(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.77276809 _cell_length_b 12.77276797 _cell_length_c 3.92469062 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000285 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm5Sc3(P3Ir4)4 _chemical_formula_sum 'Tm5 Sc3 P12 Ir16' _cell_volume 554.50580355 _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 0.33333300 0.66666700 0.50000000 1.0 Tm Tm1 1 0.66666700 0.33333300 0.50000000 1.0 Tm Tm2 1 1.00000000 0.81260205 0.00000000 1.0 Tm Tm3 1 0.18739795 0.18739795 0.00000000 1.0 Tm Tm4 1 0.81260205 1.00000000 0.00000000 1.0 Sc Sc5 1 1.00000000 0.44446402 0.50000000 1.0 Sc Sc6 1 0.55553598 0.55553598 0.50000000 1.0 Sc Sc7 1 0.44446402 1.00000000 0.50000000 1.0 P P8 1 0.00000000 0.64694882 0.50000000 1.0 P P9 1 0.35305118 0.35305118 0.50000000 1.0 P P10 1 0.64694882 0.00000000 0.50000000 1.0 P P11 1 0.51716338 0.68815849 0.00000000 1.0 P P12 1 0.31184151 0.82900489 0.00000000 1.0 P P13 1 0.17099511 0.48283662 0.00000000 1.0 P P14 1 0.48283662 0.17099511 0.00000000 1.0 P P15 1 0.68815849 0.51716338 0.00000000 1.0 P P16 1 0.82900489 0.31184151 0.00000000 1.0 P P17 1 0.00000000 0.17588817 0.50000000 1.0 P P18 1 0.82411183 0.82411183 0.50000000 1.0 P P19 1 0.17588817 0.00000000 0.50000000 1.0 Ir Ir20 1 0.50720221 0.86660416 0.00000000 1.0 Ir Ir21 1 0.13339584 0.64059905 0.00000000 1.0 Ir Ir22 1 0.35940095 0.49279779 0.00000000 1.0 Ir Ir23 1 0.49279779 0.35940095 0.00000000 1.0 Ir Ir24 1 0.86660416 0.50720221 0.00000000 1.0 Ir Ir25 1 0.64059905 0.13339584 0.00000000 1.0 Ir Ir26 1 1.00000000 0.27633332 0.00000000 1.0 Ir Ir27 1 0.72366668 0.72366668 0.00000000 1.0 Ir Ir28 1 0.27633332 1.00000000 0.00000000 1.0 Ir Ir29 1 0.62938061 0.80877218 0.50000000 1.0 Ir Ir30 1 0.19122782 0.82060843 0.50000000 1.0 Ir Ir31 1 0.17939157 0.37061939 0.50000000 1.0 Ir Ir32 1 0.37061939 0.17939157 0.50000000 1.0 Ir Ir33 1 0.80877218 0.62938061 0.50000000 1.0 Ir Ir34 1 0.82060843 0.19122782 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.50000000 1.0