data_global
_amcsd_formula_title 'Cr1.4 Cu0.3 D3.48 Ni0.3 Zr'
loop_
_publ_author_name
'Soubeyroux J'
'Bououdina M'
'Fruchart D'
'de Rango P'
_journal_name_full 'Journal of Alloys and Compounds'
_journal_volume 231 
_journal_year 1995
_journal_page_first 760
_journal_page_last 765
_publ_section_title
;
 Phase stability and neutron diffraction studies of Laves phases
 Zr (Cr1-x Mx)2 with M = (Cu0.5 Ni0.5) and 0<x<0.2 and their hydrides
 _cod_database_code 1008715
;
_database_code_amcsd 0016599
_chemical_formula_sum 'Zr (Cr1.4 Ni.3 Cu.3) D3.48'
_cell_length_a 5.385
_cell_length_b 5.385
_cell_length_c 8.818
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 221.448
_exptl_crystal_density_diffrn      6.230
_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   0.43800   1.00000
Cr1   0.00000   0.00000   0.00000   0.70000
Ni1   0.00000   0.00000   0.00000   0.15000
Cu1   0.00000   0.00000   0.00000   0.15000
Cr2   0.83700   0.67400   0.25000   0.70000
Ni2   0.83700   0.67400   0.25000   0.15000
Cu2   0.83700   0.67400   0.25000   0.15000
D1   0.05400   0.35300   0.57700   0.30000
D2   0.42200   0.84400   0.67100   0.31000
D3   0.46000   0.92000   0.25000   0.30000
D4   0.19800   0.39600   0.25000   0.20000