# generated using pymatgen data_Ho3Mo(P3Ir4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97410203 _cell_length_b 11.05557125 _cell_length_c 12.71947845 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ho3Mo(P3Ir4)2 _chemical_formula_sum 'Ho6 Mo2 P12 Ir16' _cell_volume 558.84259959 _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 Ho Ho0 1 0.00000000 0.50000000 0.52315844 1.0 Ho Ho1 1 0.50000000 0.00000000 0.47684156 1.0 Ho Ho2 1 0.50000000 0.81864619 0.20459501 1.0 Ho Ho3 1 0.50000000 0.18135381 0.20459501 1.0 Ho Ho4 1 0.00000000 0.68135381 0.79540499 1.0 Ho Ho5 1 0.00000000 0.31864619 0.79540499 1.0 Mo Mo6 1 0.50000000 0.50000000 0.16029725 1.0 Mo Mo7 1 0.00000000 0.00000000 0.83970275 1.0 P P8 1 0.50000000 0.31446586 0.61798836 1.0 P P9 1 0.50000000 0.68553414 0.61798836 1.0 P P10 1 0.00000000 0.18553414 0.38201164 1.0 P P11 1 0.00000000 0.81446586 0.38201164 1.0 P P12 1 0.50000000 0.50000000 0.87384914 1.0 P P13 1 0.00000000 0.00000000 0.12615086 1.0 P P14 1 0.50000000 0.84552150 0.88578483 1.0 P P15 1 0.50000000 0.15447850 0.88578483 1.0 P P16 1 0.00000000 0.65447850 0.11421517 1.0 P P17 1 0.00000000 0.34552150 0.11421517 1.0 P P18 1 0.50000000 0.50000000 0.34723928 1.0 P P19 1 0.00000000 0.00000000 0.65276072 1.0 Ir Ir20 1 0.00000000 0.50000000 0.99494372 1.0 Ir Ir21 1 0.50000000 0.00000000 0.00505628 1.0 Ir Ir22 1 0.50000000 0.29957103 0.43286970 1.0 Ir Ir23 1 0.50000000 0.70042897 0.43286970 1.0 Ir Ir24 1 0.00000000 0.20042897 0.56713030 1.0 Ir Ir25 1 0.00000000 0.79957103 0.56713030 1.0 Ir Ir26 1 0.50000000 0.87237613 0.70970953 1.0 Ir Ir27 1 0.50000000 0.12762387 0.70970953 1.0 Ir Ir28 1 0.00000000 0.62762387 0.29029047 1.0 Ir Ir29 1 0.00000000 0.37237613 0.29029047 1.0 Ir Ir30 1 0.50000000 0.33103797 0.97892728 1.0 Ir Ir31 1 0.50000000 0.66896203 0.97892728 1.0 Ir Ir32 1 0.00000000 0.16896203 0.02107272 1.0 Ir Ir33 1 0.00000000 0.83103797 0.02107272 1.0 Ir Ir34 1 0.50000000 0.50000000 0.69670626 1.0 Ir Ir35 1 0.00000000 0.00000000 0.30329374 1.0