data_global
_chemical_name_mineral 'Roaldite'
loop_
_publ_author_name
'Bayliss P'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 28 
_journal_year 1990
_journal_page_first 751
_journal_page_last 755
_publ_section_title
;
 Revised unit cell dimensions, space group,
 and chemical formula of some metallic minerals
 Note: Fe and N positions switched to match formula
 Note: cell edge taken from Handbook of Mineralogy
;
_database_code_amcsd 0005250
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Fe4 N'
_cell_length_a 3.79
_cell_length_b 3.79
_cell_length_c 3.79
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 54.440
_exptl_crystal_density_diffrn      7.241
_symmetry_space_group_name_H-M 'P -4 3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-z,x,-y'
  '-y,z,-x'
  '-x,y,-z'
  'x,-z,-y'
  'z,-y,-x'
  'y,-x,-z'
  'x,z,y'
  'z,y,x'
  'y,x,z'
  '-z,-x,y'
  '-y,-z,x'
  '-x,-y,z'
  'z,-x,-y'
  'y,-z,-x'
  'x,-y,-z'
  '-x,z,-y'
  '-z,y,-x'
  '-y,x,-z'
  '-x,-z,y'
  '-z,-y,x'
  '-y,-x,z'
  'z,x,y'
  'y,z,x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe   0.26500   0.26500   0.26500
N   0.00000   0.00000   0.00000