data_global
_chemical_name_mineral 'Pinnoite'
loop_
_publ_author_name
'Paton F'
'MacDonald S G G'
_journal_name_full 'Acta Crystallographica'
_journal_volume 10 
_journal_year 1957
_journal_page_first 653
_journal_page_last 656
_publ_section_title
;
 The crystal structure of pinnoite
;
_database_code_amcsd 0009203
_chemical_compound_source 'Stassfurt, Germany'
_chemical_formula_sum 'Mg B2 O7 H6'
_cell_length_a 7.62
_cell_length_b 7.62
_cell_length_c 8.19
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 475.547
_exptl_crystal_density_diffrn      2.290
_symmetry_space_group_name_H-M 'P 42/n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'y,-x,-z'
  '1/2-y,1/2+x,1/2+z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,z'
  '-y,x,-z'
  '1/2+y,1/2-x,1/2+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   0.75000   0.25000   0.25000
B   0.89300   0.38300  -0.11000
O1   0.50000   0.00000   0.01000
O-H2   0.83900   0.23800   0.01300
O-H3   0.98800   0.30200  -0.23900
O-H4   0.72800   0.48800  -0.16700