data_global
_chemical_name_mineral 'Boracite'
loop_
_publ_author_name
'Ito T'
'Morimoto N'
'Sadanaga R'
_journal_name_full 'Acta Crystallographica'
_journal_volume 4 
_journal_year 1951
_journal_page_first 310
_journal_page_last 316
_publ_section_title
;
 The crystal structure of boracite
;
_database_code_amcsd 0019539
_chemical_compound_source 'Stassfurt, Germany'
_chemical_formula_sum 'Mg3 B7 O13 Cl'
_cell_length_a 8.54
_cell_length_b 8.54
_cell_length_c 12.07
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 880.284
_exptl_crystal_density_diffrn      2.958
_symmetry_space_group_name_H-M 'P c a 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '-x,y,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
Mg1   0.50000   0.00000   0.98100
Mg2   0.23100  -0.26900   0.25000
Mg3   0.23100   0.26900   0.25000
B11   0.25000  -0.25000   0.00000
B12   0.00000   0.00000   0.25000
B13  -0.25000   0.25000   0.00000
B21   0.50000   0.33000   0.41500
B22   0.50000  -0.33000   0.41500
B23   0.17000   0.00000   0.08500
B24   0.17000   0.00000  -0.41500
O1   0.00000   0.00000   0.00000
O21   0.08200  -0.27800   0.47900
O22   0.15900   0.20100   0.40200
O23   0.07700  -0.11900   0.32000
O24   0.41800   0.22200   0.47900
O25   0.34100  -0.29900   0.40200
O26   0.42300   0.38100   0.32000
O27   0.11900   0.07600   0.18000
O28   0.20100  -0.15900   0.09800
O29   0.22200  -0.41800   0.02100
O210   0.38100  -0.42300   0.18000
O211   0.29900   0.34100   0.09800
O212   0.27800   0.08200   0.02100
Cl   0.52400   0.00000   0.26200