# generated using pymatgen data_Ce5Sc3(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.84047076 _cell_length_b 12.84047147 _cell_length_c 3.99127892 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000327 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce5Sc3(P3Ir4)4 _chemical_formula_sum 'Ce5 Sc3 P12 Ir16' _cell_volume 569.90781425 _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 Ce Ce0 1 0.33333300 0.66666700 0.50000000 1.0 Ce Ce1 1 0.66666700 0.33333300 0.50000000 1.0 Ce Ce2 1 1.00000000 0.81493670 0.00000000 1.0 Ce Ce3 1 0.18506330 0.18506330 0.00000000 1.0 Ce Ce4 1 0.81493670 1.00000000 0.00000000 1.0 Sc Sc5 1 1.00000000 0.44287102 0.50000000 1.0 Sc Sc6 1 0.55712898 0.55712898 0.50000000 1.0 Sc Sc7 1 0.44287102 1.00000000 0.50000000 1.0 P P8 1 0.00000000 0.64330526 0.50000000 1.0 P P9 1 0.35669474 0.35669474 0.50000000 1.0 P P10 1 0.64330526 0.00000000 0.50000000 1.0 P P11 1 0.51927048 0.68633650 0.00000000 1.0 P P12 1 0.31366350 0.83293399 0.00000000 1.0 P P13 1 0.16706601 0.48072952 0.00000000 1.0 P P14 1 0.48072952 0.16706601 0.00000000 1.0 P P15 1 0.68633650 0.51927048 0.00000000 1.0 P P16 1 0.83293399 0.31366350 0.00000000 1.0 P P17 1 0.00000000 0.17787385 0.50000000 1.0 P P18 1 0.82212615 0.82212615 0.50000000 1.0 P P19 1 0.17787385 0.00000000 0.50000000 1.0 Ir Ir20 1 0.51065666 0.86731843 0.00000000 1.0 Ir Ir21 1 0.13268157 0.64333922 0.00000000 1.0 Ir Ir22 1 0.35666078 0.48934334 0.00000000 1.0 Ir Ir23 1 0.48934334 0.35666078 0.00000000 1.0 Ir Ir24 1 0.86731843 0.51065666 0.00000000 1.0 Ir Ir25 1 0.64333922 0.13268157 0.00000000 1.0 Ir Ir26 1 0.00000000 0.28055332 0.00000000 1.0 Ir Ir27 1 0.71944668 0.71944668 0.00000000 1.0 Ir Ir28 1 0.28055332 0.00000000 0.00000000 1.0 Ir Ir29 1 0.62760438 0.80658546 0.50000000 1.0 Ir Ir30 1 0.19341454 0.82101892 0.50000000 1.0 Ir Ir31 1 0.17898108 0.37239562 0.50000000 1.0 Ir Ir32 1 0.37239562 0.17898108 0.50000000 1.0 Ir Ir33 1 0.80658546 0.62760438 0.50000000 1.0 Ir Ir34 1 0.82101892 0.19341454 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.50000000 1.0