data_global _amcsd_formula_title 'Fe P Pd' loop_ _publ_author_name 'Artigas M' 'Bacmann M' 'Fruchart D' 'Wolfers P' 'Fruchart R' _journal_name_full 'Journal of Alloys and Compounds' _journal_volume 176 _journal_year 1991 _journal_page_first 105 _journal_page_last 114 _publ_section_title ; Structural characterization of Fe Pd P: stabilization of a new polytype of the MM'X series _cod_database_code 1008874 ; _database_code_amcsd 0016741 _chemical_formula_sum 'Pd4.137 Fe3.863 P4' _cell_length_a 12.055 _cell_length_b 12.055 _cell_length_c 3.636 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 457.603 _exptl_crystal_density_diffrn 8.490 _symmetry_space_group_name_H-M 'P -6 2 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-x+y,z' '-x+y,-x,-z' 'y,x,-z' '-y,x-y,z' 'x-y,-y,z' 'x,y,-z' '-x,-x+y,-z' '-x+y,-x,z' 'y,x,z' '-y,x-y,-z' 'x-y,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd1 0.32938 0.00000 0.00000 1.00000 Pd2 0.80279 0.00000 0.00000 0.75900 Fe1 0.80279 0.00000 0.00000 0.24100 Pd3 0.16319 0.53883 0.50000 0.86300 Fe2 0.16319 0.53883 0.50000 0.13700 Pd4 0.14150 0.00000 0.50000 0.65200 Fe3 0.14150 0.00000 0.50000 0.34800 Fe4 0.63382 0.00000 0.50000 1.00000 Fe5 0.18189 0.72196 0.00000 1.00000 P1 0.00000 0.00000 0.00000 1.00000 P2 0.52560 0.00000 0.00000 1.00000 P3 0.34479 0.17210 0.50000 1.00000 P4 0.33333 0.66667 0.00000 1.00000