data_global
_amcsd_formula_title 'Cr1.454 D3.384 Ni0.546 Zr'
loop_
_publ_author_name
'Bououdina M'
'Soubeyroux J'
'Fruchart D'
'de Rango P'
_journal_name_full 'Journal of Alloys and Compounds'
_journal_volume 257 
_journal_year 1997
_journal_page_first 82
_journal_page_last 90
_publ_section_title
;
 Structural studies of Laves phases Zr (Cr1-x Nix)2 with 0 < x < 0.4 and
 their hydrides
 _cod_database_code 1008800
;
_database_code_amcsd 0016672
_chemical_formula_sum 'Zr (Cr1.455 Ni.545) D3.384'
_cell_length_a 5.343
_cell_length_b 5.343
_cell_length_c 8.747
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 216.252
_exptl_crystal_density_diffrn      6.317
_symmetry_space_group_name_H-M 'P 63/m m c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x,x-y,1/2-z'
  '-x+y,-x,1/2-z'
  'x-y,x,1/2+z'
  '-y,-x,z'
  'y,x,-z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x+y,y,1/2-z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  'x,x-y,z'
  '-x,-x+y,-z'
  'x-y,x,-z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  '-y,-x,1/2-z'
  '-y,x-y,1/2-z'
  'y,-x+y,1/2+z'
  '-x+y,y,z'
  'x-y,-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Zr1   0.33333   0.66667   0.43570   1.00000
Cr1   0.00000   0.00000   0.00000   0.72000
Ni1   0.00000   0.00000   0.00000   0.28000
Cr2   0.84700   0.69400   0.25000   0.73000
Ni2   0.84700   0.69400   0.25000   0.27000
D1   0.04500   0.33333   0.55700   0.25300
D2   0.46100   0.92200   0.62600   0.31800
D3   0.45900   0.91800   0.25000   0.56400
D4   0.19800   0.39600   0.25000   0.04400