data_global
_amcsd_formula_title 'D0.3 Mg2 Ni'
loop_
_publ_author_name
'Darriet B'
'Soubeyroux J'
'Pezat M'
'Fruchart D'
_journal_name_full 'Journal of the Less-Common Metals'
_journal_volume 103 
_journal_year 1984
_journal_page_first 153
_journal_page_last 162
_publ_section_title
;
 Structural and hydrogen diffusion study in the Mg2 Ni H2 system
 _cod_database_code 1008287
;
_database_code_amcsd 0016209
_chemical_formula_sum 'Ni Mg2 D.235'
_cell_length_a 5.256
_cell_length_b 5.256
_cell_length_c 13.435
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 321.425
_exptl_crystal_density_diffrn      3.341
_symmetry_space_group_name_H-M 'P 62 2 2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,x-y,1/3-z'
  'x-y,x,1/3+z'
  'y,x,2/3-z'
  '-y,x-y,2/3+z'
  '-x+y,y,-z'
  '-x,-y,z'
  '-x,-x+y,1/3-z'
  '-x+y,-x,1/3+z'
  '-y,-x,2/3-z'
  'y,-x+y,2/3+z'
  'x-y,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ni1   0.00000   0.00000   0.50000   1.00000
Ni2   0.50000   0.00000   0.50000   1.00000
Mg1   0.50000   0.00000   0.12300   1.00000
Mg2   0.15800   0.31600   0.00000   1.00000
D1   0.32000   0.20000   0.54000   0.05000
D2   0.67000   0.34000   0.50000   0.13500