data_global
_chemical_name_mineral 'Stannite'
loop_
_publ_author_name
'Bonazzi P'
'Bindi L'
'Bernardini G P'
'Menchetti S'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 41 
_journal_year 2003
_journal_page_first 639
_journal_page_last 647
_publ_section_title
;
 A model for the mechanism of incorporation of Cu, Fe and Zn in the
 stannite - kesterite series, Cu2FeSnS4 - Cu2ZnSnS4
 Sample: Fe100
;
_database_code_amcsd 0005838
_chemical_formula_sum 'Cu2 Fe Sn S4'
_cell_length_a 5.4495
_cell_length_b 5.4495
_cell_length_c 10.726
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 318.531
_exptl_crystal_density_diffrn      4.482
_symmetry_space_group_name_H-M 'I -4 2 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '-y,-x,z'
  '1/2-y,1/2-x,1/2+z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-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'
  'y,x,z'
  '1/2+y,1/2+x,1/2+z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-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_U_iso_or_equiv
Cu(4d)   0.00000   0.50000   0.25000   0.01924
Fe(2a)   0.00000   0.00000   0.00000   0.01219
Sn(2b)   0.00000   0.00000   0.50000   0.01025
S(8i)   0.75581   0.75581   0.87012   0.01134