data_global
_amcsd_formula_title 'Fe0.512 H4.072 Mn1.738 Zr0.749'
loop_
_publ_author_name
'Triantafillidis G'
'Pontonnier L'
'Fruchart D'
'Wolfers P'
'Soubeyroux J'
_journal_name_full 'Journal of the Less-Common Metals'
_journal_volume 172 
_journal_year 1991
_journal_page_first 183
_journal_page_last 190
_publ_section_title
;
 Effect of hydrogen absorption on the structural properties of the
 hyperstoichiometric alloys Zr(Mn0.72Fe0.28)2+x
 _cod_database_code 1008569
;
_database_code_amcsd 0016460
_chemical_formula_sum 'Zr.749 Mn1.739 Fe.512 H4.073'
_cell_length_a 5.336
_cell_length_b 5.336
_cell_length_c 8.697
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 214.453
_exptl_crystal_density_diffrn      6.088
_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   0.10000   0.74900
Mn1   0.33333   0.66667   0.10000   0.25100
Mn2   0.00000   0.00000   0.00000   0.93500
Fe1   0.00000   0.00000   0.00000   0.06500
Mn3   0.81880   0.63760   0.25000   0.68000
Fe2   0.81880   0.63760   0.25000   0.32000
H1   0.02367   0.33770   0.57127   0.23600
H2   0.45490   0.90980   0.59920   0.38800
H3   0.52860   0.05720   0.25000   0.52700
H4   0.22240   0.44480   0.25000   0.46800