data_global
_chemical_name_mineral 'Erazoite'
loop_
_publ_author_name
'Chen X a'
'Wada H'
'Sato A'
_journal_name_full 'Materials Research Bulletin'
_journal_volume 34 
_journal_year 1999
_journal_page_first 239
_journal_page_last 247
_publ_section_title
;
 Preparation, crystal structure and electrical properties of Cu4SnS6
;
_database_code_amcsd 0020419
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Sn.661 Cu2.652 S4'
_cell_length_a 3.739
_cell_length_b 3.739
_cell_length_c 32.941
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 398.821
_exptl_crystal_density_diffrn      4.687
_symmetry_space_group_name_H-M 'R -3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'x,x-y,z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  'y,x,-z'
  '2/3+y,1/3+x,1/3-z'
  '1/3+y,2/3+x,2/3-z'
  '-x+y,y,z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x+y,2/3+y,2/3+z'
  '-x,-x+y,-z'
  '2/3-x,1/3-x+y,1/3-z'
  '1/3-x,2/3-x+y,2/3-z'
  '-y,-x,z'
  '2/3-y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  'x-y,-y,-z'
  '2/3+x-y,1/3-y,1/3-z'
  '1/3+x-y,2/3-y,2/3-z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-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
Sn   0.00000   0.00000   0.00000   0.66100   0.00900
Cu1   0.00000   0.00000   0.04070   0.32600   0.01600
Cu2   0.00000   0.00000   0.22040   1.00000   0.01500
S1   0.00000   0.00000   0.28960   1.00000   0.01200
S2   0.00000   0.00000   0.46860   1.00000   0.01100
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 0.00800 0.00800 0.01100 0.00400 0.00000 0.00000
Cu1 0.01300 0.01300 0.02000 0.00700 0.00000 0.00000
Cu2 0.01600 0.01600 0.01400 0.00800 0.00000 0.00000
S1 0.01400 0.01400 0.00900 0.00700 0.00000 0.00000
S2 0.01100 0.01100 0.01100 0.00600 0.00000 0.00000