data_global
_amcsd_formula_title 'MgAlF5'
loop_
_publ_author_name
'Weil M'
'Werner F'
_journal_name_full 'Monatshefte fur Chemie'
_journal_volume 132 
_journal_year 2001
_journal_page_first 769
_journal_page_last 777
_publ_section_title
;
 The thermal dehydration of magnesium aluminum pentafluoride dihydrate:
 crystal structures of MgAlF5(H2O)2 and MgAlF5
;
_database_code_amcsd 0020047
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Mg Al F5'
_cell_length_a 7.268
_cell_length_b 6.123
_cell_length_c 3.543
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 157.670
_exptl_crystal_density_diffrn      3.081
_symmetry_space_group_name_H-M 'I m m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,y,z'
  '1/2-x,1/2+y,1/2+z'
  'x,-y,-z'
  '1/2+x,1/2-y,1/2-z'
  'x,y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mg   0.00000   0.00000   0.00000
Al   0.00000   0.50000   0.50000
Fl   0.74000   0.00000   0.00000
F2   0.50000   0.00000   0.50000
F3   0.00000   0.21000   0.50000