data_global
_chemical_name_mineral 'Naquite'
loop_
_publ_author_name
'Wever F'
'Moeller H'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 75 
_journal_year 1930
_journal_page_first 362
_journal_page_last 365
_publ_section_title
;
 Ueber den Kristallbau des Eisensilizides FeSi
 _cod_database_code 1011343
;
_database_code_amcsd 0018180
_chemical_formula_sum 'Fe Si'
_cell_length_a 4.467
_cell_length_b 4.467
_cell_length_c 4.467
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 89.135
_exptl_crystal_density_diffrn      6.254
_symmetry_space_group_name_H-M 'P 21 3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-z,-x,1/2+y'
  '-z,1/2+x,1/2-y'
  '1/2+z,1/2-x,-y'
  'z,x,y'
  '1/2+y,1/2-z,-x'
  '1/2-y,-z,1/2+x'
  '-y,1/2+z,1/2-x'
  'y,z,x'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe   0.13400   0.13400   0.13400
Si   0.84450   0.84450   0.84450