data_global
_amcsd_formula_title 'Cr1.794 D3.38 Ni0.206 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 1008799
;
_database_code_amcsd 0016671
_chemical_formula_sum 'Zr (Cr1.794 Ni.206) D3.378'
_cell_length_a 5.368
_cell_length_b 5.368
_cell_length_c 8.797
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 219.528
_exptl_crystal_density_diffrn      6.154
_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   0.43640   1.00000
Cr1   0.00000   0.00000   0.00000   0.82200
Ni1   0.00000   0.00000   0.00000   0.17800
Cr2   0.83500   0.67000   0.25000   0.92200
Ni2   0.83500   0.67000   0.25000   0.07800
D1   0.04500   0.33333   0.55700   0.26500
D2   0.46100   0.92200   0.62600   0.28400
D3   0.45900   0.91800   0.25000   0.46200
D4   0.19800   0.39600   0.25000   0.16200