data_global
_amcsd_formula_title 'Mg2B14'
loop_
_publ_author_name
'Guette A'
'Barret M'
'Naslain R'
'Hagenmuller P'
'Tergenius L E'
'Lundstrom T'
_journal_name_full 'Journal of the Less-Common Metals'
_journal_volume 82 
_journal_year 1981
_journal_page_first 325
_journal_page_last 334
_publ_section_title
;
 Crystal structure of magnesium heptaboride Mg2B14
 _cod_database_code 1000056
;
_database_code_amcsd 0014148
_chemical_formula_sum 'Mg.965 B7'
_cell_length_a 5.970
_cell_length_b 8.125
_cell_length_c 10.480
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 508.345
_exptl_crystal_density_diffrn      2.591
_symmetry_space_group_name_H-M 'I m a m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'x,y,1/2-z'
  '1/2+x,1/2+y,-z'
  '-x,-y,1/2+z'
  '1/2-x,1/2-y,+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,1/2+z'
  '1/2+x,1/2-y,+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,-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
_atom_site_occupancy
Mg1   0.00000   0.36640   0.75000   0.93000
Mg2   0.25000   0.25000   0.25000   1.00000
B1   0.25000   0.04070   0.08300   1.00000
B2   0.16000   0.83400   0.06710   1.00000
B3   0.00000   0.18100   0.08100   1.00000
B4   0.00000  -0.02800   0.16440   1.00000
B5   0.00000   0.38200   0.14200   1.00000