data_global
_amcsd_formula_title 'B68 Fe68 Nd19'
loop_
_publ_author_name
'Bezinge A'
'Yvon K'
'Braun H'
'Muller J'
'Nissen H'
_journal_name_full 'Physical Review'
_journal_volume B36 
_journal_year 1987
_journal_page_first 1406
_journal_page_last 1414
_publ_section_title
;
 Nd1+e Fe4 B4: A composition-modulated compound with
 incommensurate composite crystal structure.
 _cod_database_code 1008634
;
_database_code_amcsd 0016523
_chemical_formula_sum 'Nd19 Fe68 B68'
_cell_length_a 7.1226
_cell_length_b 7.1226
_cell_length_c 66.2
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 3358.420
_exptl_crystal_density_diffrn      7.192
_symmetry_space_group_name_H-M 'P 42/n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'y,1/2-x,1/2-z'
  '-y,1/2+x,1/2+z'
  '1/2+x,1/2+y,-z'
  '1/2-x,1/2-y,z'
  '1/2-y,x,1/2-z'
  '1/2+y,-x,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Nd1   0.75000   0.75000   0.04000
Nd2   0.75000   0.75000   0.09250
Nd3   0.75000   0.75000   0.14440
Nd4   0.75000   0.75000   0.19670
Nd5   0.75000   0.75000   0.25000
Nd6   0.75000   0.75000   0.51340
Nd7   0.75000   0.75000   0.56620
Nd8   0.75000   0.75000   0.61840
Nd9   0.75000   0.75000   0.67080
Nd10   0.75000   0.75000   0.72340
Fe1   0.12900   0.63200   0.02100
Fe2   0.13600   0.88400   0.05050
Fe3   0.13700   0.62300   0.08050
Fe4   0.12700   0.87200   0.11000
Fe5   0.13300   0.60900   0.14010
Fe6   0.12600   0.86300   0.16860
Fe7   0.14200   0.60400   0.19800
Fe8   0.12000   0.86900   0.22710
Fe9   0.14300   0.62200   0.25610
Fe10   0.11900   0.87200   0.28590
Fe11   0.13700   0.62800   0.31530
Fe12   0.13400   0.88300   0.34560
Fe13   0.12800   0.62600   0.37470
Fe14   0.14300   0.88800   0.40420
Fe15   0.11300   0.63000   0.43340
Fe16   0.14500   0.87800   0.46270
Fe17   0.10800   0.63200   0.49160
B1   0.52500   0.42300   0.03830
B2   0.55400   0.41900   0.09430
B3   0.61800   0.33400   0.14890
B4   0.67800   0.55300   0.20000
B5   0.67900   0.48600   0.25110
B6   0.59400   0.47500   0.32960
B7   0.58600   0.41700   0.39010
B8   0.58100   0.36100   0.46710
B9   0.55800   0.40200   0.50870
B10   0.60700   0.31400   0.54220
B11   0.55400   0.42200   0.62660
B12   0.58000   0.42900   0.68460
B13   0.58600   0.45200   0.74340
B14   0.57800   0.45800   0.80260
B15   0.57800   0.45100   0.86030
B16   0.55500   0.42000   0.92070
B17   0.55000   0.43400   0.97790