# generated using pymatgen data_TbCo2(PIr)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.84436576 _cell_length_b 10.53322190 _cell_length_c 12.14449300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbCo2(PIr)3 _chemical_formula_sum 'Tb4 Co8 P12 Ir12' _cell_volume 491.77372749 _cell_formula_units_Z 4 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 Tb Tb0 1 0.25000000 0.58345827 0.71088916 1.0 Tb Tb1 1 0.25000000 0.91654173 0.21088916 1.0 Tb Tb2 1 0.75000000 0.41654173 0.28911084 1.0 Tb Tb3 1 0.75000000 0.08345827 0.78911084 1.0 Co Co4 1 0.25000000 0.88333250 0.69752907 1.0 Co Co5 1 0.25000000 0.61666750 0.19752907 1.0 Co Co6 1 0.75000000 0.11666750 0.30247093 1.0 Co Co7 1 0.75000000 0.38333250 0.80247093 1.0 Co Co8 1 0.25000000 0.46242152 0.93364233 1.0 Co Co9 1 0.25000000 0.03757848 0.43364233 1.0 Co Co10 1 0.75000000 0.53757848 0.06635767 1.0 Co Co11 1 0.75000000 0.96242152 0.56635767 1.0 P P12 1 0.25000000 0.43368240 0.11045811 1.0 P P13 1 0.25000000 0.06631760 0.61045811 1.0 P P14 1 0.75000000 0.56631760 0.88954189 1.0 P P15 1 0.75000000 0.93368240 0.38954189 1.0 P P16 1 0.25000000 0.27471738 0.86875392 1.0 P P17 1 0.25000000 0.22528262 0.36875392 1.0 P P18 1 0.75000000 0.72528262 0.13124608 1.0 P P19 1 0.75000000 0.77471738 0.63124608 1.0 P P20 1 0.25000000 0.59897849 0.37766387 1.0 P P21 1 0.25000000 0.90102151 0.87766387 1.0 P P22 1 0.75000000 0.40102151 0.62233613 1.0 P P23 1 0.75000000 0.09897849 0.12233613 1.0 Ir Ir24 1 0.25000000 0.72227789 0.99236000 1.0 Ir Ir25 1 0.25000000 0.77772211 0.49236000 1.0 Ir Ir26 1 0.75000000 0.27772211 0.00764000 1.0 Ir Ir27 1 0.75000000 0.22227789 0.50764000 1.0 Ir Ir28 1 0.25000000 0.41006609 0.47658071 1.0 Ir Ir29 1 0.25000000 0.08993391 0.97658071 1.0 Ir Ir30 1 0.75000000 0.58993391 0.52341929 1.0 Ir Ir31 1 0.75000000 0.91006609 0.02341929 1.0 Ir Ir32 1 0.25000000 0.22827546 0.17673589 1.0 Ir Ir33 1 0.25000000 0.27172454 0.67673589 1.0 Ir Ir34 1 0.75000000 0.77172454 0.82326411 1.0 Ir Ir35 1 0.75000000 0.72827546 0.32326411 1.0