data_global
_chemical_name_mineral 'Hydroxylborite'
loop_
_publ_author_name
'Takeuchi Y'
_journal_name_full 'Acta Crystallographica'
_journal_volume 3 
_journal_year 1950
_journal_page_first 208
_journal_page_last 210
_publ_section_title
;
 The structure of fluoborite
;
_database_code_amcsd 0009139
_chemical_compound_source 'Tallgruvan, Sweden'
_chemical_formula_sum 'Mg3 B O5.13 (F.87 H2.13)'
_cell_length_a 9.06
_cell_length_b 9.06
_cell_length_c 3.06
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 217.525
_exptl_crystal_density_diffrn      2.817
_symmetry_space_group_name_H-M 'P 63/m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x+y,-x,1/2-z'
  'x-y,x,1/2+z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  'x-y,x,-z'
  '-x+y,-x,z'
  '-y,x-y,1/2-z'
  'y,-x+y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mg   0.38100   0.03800   0.25000   1.00000
B   0.66667   0.33333   0.75000   1.00000
O   0.53700   0.15600   0.75000   1.00000
O-H   0.31000   0.21800   0.25000   0.71000
F   0.31000   0.21800   0.25000   0.29000