data_global
_amcsd_formula_title 'Al0.384 D2.76 Mn1.616 Zr'
loop_
_publ_author_name
'Soubeyroux J'
'Pontonnier L'
'Miraglia S'
'Isnard O'
'Fruchart D'
'Akiba E'
'Hayakawa H'
'Fujitani S'
'Yonezu I'
_journal_name_full 'Zeitschrift fur Physikalische Chemie'
_journal_volume 179 
_journal_year 1993
_journal_page_first 187
_journal_page_last 198
_publ_section_title
;
 Crystal structure and microstructure analysis of alloys Zr(Mn1-xMx)2Hy
 with M=V,Fe,Co,Ni,Al and their hydrides
 _cod_database_code 1008652
;
_database_code_amcsd 0016540
_chemical_formula_sum 'Zr (Mn1.616 Al.384) D2.759'
_cell_length_a 5.399
_cell_length_b 5.399
_cell_length_c 8.828
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 222.854
_exptl_crystal_density_diffrn      5.839
_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   0.43700   1.00000
Mn1   0.00000   0.00000   0.00000   0.82000
Al1   0.00000   0.00000   0.00000   0.18000
Mn2   0.84700   0.69400   0.25000   0.80400
Al2   0.84700   0.69400   0.25000   0.19600
D1   0.05100   0.34000   0.57700   0.24500
D2   0.46700   0.93400   0.62500   0.23300
D3   0.44700   0.89400   0.25000   0.32000
D4   0.19600   0.39200   0.25000   0.07300