data_global
_amcsd_formula_title 'Cr1.8 D3.525 Ni0.2 Zr'
loop_
_publ_author_name
'Soubeyroux J'
'Bououdina M'
'Fruchart D'
'Pontonnier L'
_journal_name_full 'Journal of Alloys and Compounds'
_journal_volume 219 
_journal_year 1995
_journal_page_first 48
_journal_page_last 54
_publ_section_title
;
 Phase stability and neutron diffraction studies of Laves phases Zr (Cr1-x Mx)2
 with M =Mn,Fe,Co,Ni,Cu and 0 < x <0.2 and their hydrides
 _cod_database_code 1008683
;
_database_code_amcsd 0016569
_chemical_formula_sum 'Zr (Cr1.8 Ni.2) D3.525'
_cell_length_a 5.367
_cell_length_b 5.367
_cell_length_c 8.793
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 219.347
_exptl_crystal_density_diffrn      6.167
_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   0.43620   1.00000
Cr1   0.00000   0.00000   0.00000   0.90000
Ni1   0.00000   0.00000   0.00000   0.10000
Cr2   0.83400   0.66800   0.25000   0.90000
Ni2   0.83400   0.66800   0.25000   0.10000
D1   0.04660   0.33870   0.55620   0.27500
D2   0.45930   0.91860   0.62440   0.31000
D3   0.45850   0.91700   0.25000   0.43000
D4   0.20200   0.40400   0.25000   0.20000