data_global
_chemical_name_mineral 'Mawsonite'
loop_
_publ_author_name
'Szymanski J T'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 14 
_journal_year 1976
_journal_page_first 529
_journal_page_last 535
_publ_section_title
;
 The crystal structure of mawsonite, Cu6Fe2SnS8
;
_database_code_amcsd 0005128
_chemical_formula_sum 'Sn Cu6 Fe2 S8'
_cell_length_a 7.603
_cell_length_b 7.603
_cell_length_c 5.358
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 309.722
_exptl_crystal_density_diffrn      4.655
_symmetry_space_group_name_H-M 'P -4 m 2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'y,x,-z'
  'y,-x,-z'
  'x,-y,z'
  '-x,-y,z'
  '-y,-x,-z'
  '-y,x,-z'
  '-x,y,z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Sn   0.00000   0.00000   0.00000
Cu1   0.50000   0.00000   0.00020
Cu2   0.24630   0.24630   0.50000
Fe1   0.50000   0.50000   0.00000
Fe2   0.50000   0.50000   0.50000
S1   0.26150   0.00000   0.25380
S2   0.25970   0.50000   0.24900
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Sn 0.00840 0.00840 0.00910 0.00000 0.00000 0.00000
Cu1 0.01650 0.02470 0.01860 0.00000 0.00000 0.00000
Cu2 0.01650 0.01650 0.01820 -0.00270 0.00120 -0.00120
Fe1 0.01140 0.01140 0.00510 0.00000 0.00000 0.00000
Fe2 0.00830 0.00830 0.00540 0.00000 0.00000 0.00000
S1 0.00950 0.01060 0.01150 0.00000 -0.00260 0.00000
S2 0.00920 0.01320 0.00840 0.00000 -0.00180 0.00000