data_global
_chemical_name_mineral 'Luobusaite'
loop_
_publ_author_name
'Li G'
'Sh N'
'Xiong M'
'Ma Z'
'Bai W'
'Fang Q'
_journal_name_full 'Journal of Mineralogy and Petrology'
_journal_volume 27 
_journal_year 2007
_journal_page_first 1
_journal_page_last 5
_publ_section_title
;
 Rietveld structure refinement of new mineral luobusaite (beta-FeSi2)
;
_database_code_amcsd 0019737
_chemical_formula_sum 'Fe.96 Si2'
_cell_length_a 9.8362
_cell_length_b 7.8301
_cell_length_c 7.8655
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 605.788
_exptl_crystal_density_diffrn      4.815
_symmetry_space_group_name_H-M 'C m c a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,1/2-y,1/2+z'
  '1/2+x,-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '1/2-x,+y,1/2-z'
  '-x,y,z'
  '1/2-x,1/2+y,z'
  'x,-y,-z'
  '1/2+x,1/2-y,-z'
  'x,1/2+y,1/2-z'
  '1/2+x,+y,1/2-z'
  '-x,1/2-y,1/2+z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Fe1   0.77885   0.00000   0.00000   1.00000   0.00146
Fe2   0.00000   0.20284   0.80213   0.92000   0.00166
Si1   0.11806   0.26176   0.05338   1.00000   0.00382
Si2   0.36256   0.05784   0.21333   1.00000   0.00485