data_global
_chemical_name_mineral 'Nielsenite'
loop_
_publ_author_name
'Okamura K'
_journal_name_full 'Journal of the Physical Society of Japan'
_journal_volume 28 
_journal_year 1970
_journal_page_first 1005
_journal_page_last 1014
_publ_section_title
;
 Lattice modulation in the long period ordered alloys studied by X-ray diffraction. III. Cu3Pd
 Note: Coordinates of Cu6 altered to reproduce reported bond lengths
;
_database_code_amcsd 0014169
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Cu21 Pd7'
_cell_length_a 3.710
_cell_length_b 3.710
_cell_length_c 25.655
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 353.118
_exptl_crystal_density_diffrn      9.778
_symmetry_space_group_name_H-M 'P 4 m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,-x,z'
  '-y,x,z'
  'x,-y,z'
  '-x,-y,z'
  'y,x,z'
  'y,-x,z'
  '-x,y,z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cu1   0.50000   0.00000   0.07140   0.01165
Cu2   0.50000   0.00000   0.21430   0.01153
Cu3   0.50000   0.00000   0.35710   0.01165
Cu4   0.50000   0.00000   0.50000   0.00849
Cu5   0.50000   0.00000   0.64280   0.01165
Cu6   0.50000   0.00000   0.78570   0.01165
Cu7   0.50000   0.00000   0.92860   0.01165
Cu8   0.50000   0.50000   0.00030   0.01165
Cu9   0.50000   0.50000   0.14330   0.01684
Cu10   0.50000   0.50000   0.28540   0.01608
Cu11   0.50000   0.50000   0.42800   0.01115
Cu12   0.00000   0.00000   0.57170   0.01469
Cu13   0.00000   0.00000   0.71430   0.01608
Cu14   0.00000   0.00000   0.85860   0.01456
Pd15   0.00000   0.00000  -0.00040   0.00925
Pd16   0.00000   0.00000   0.14270   0.00861
Pd17   0.00000   0.00000   0.28590   0.00874
Pd18   0.00000   0.00000   0.42900   0.01064
Pd19   0.50000   0.50000   0.57140   0.00988
Pd20   0.50000   0.50000   0.71440   0.00925
Pd21   0.50000   0.50000   0.85730   0.01001