data_global
_chemical_name_mineral 'Kuramite'
loop_
_publ_author_name
'Chen X'
'Wada H'
'Sato A'
'Mieno M'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 139 
_journal_year 1998
_journal_page_first 144
_journal_page_last 151
_publ_section_title
;
 Synthesis, electrical conductivity, and crystal structure of Cu4Sn7S16 and
 structure refinement of Cu2SnS3
;
_database_code_amcsd 0013950
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Cu.999 Sn.501 S1.5'
_cell_length_a 5.413
_cell_length_b 5.413
_cell_length_c 10.824
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 317.149
_exptl_crystal_density_diffrn      1.791
_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_occupancy
Cu   0.00000   0.00000   0.00000   0.37500
CuM1   0.00000   0.50000   0.25000   0.21150
SnM1   0.00000   0.50000   0.25000   0.16350
SnM2   0.00000   0.00000   0.50000   0.17360
CuM2   0.00000   0.00000   0.50000   0.20140
S   0.24610   0.24610   0.12310   0.37500
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
Cu 0.02000 0.02000 0.02400 0.00000 0.00000 0.00000
CuM1 0.01900 0.01900 0.01800 0.00000 0.00000 0.00000
SnM1 0.01900 0.01900 0.01800 0.00000 0.00000 0.00000
SnM2 0.01800 0.01800 0.02100 0.00000 0.00000 0.00000
CuM2 0.01800 0.01800 0.02100 0.00000 0.00000 0.00000
S 0.01500 0.01500 0.01500 -0.00100 -0.00100 -0.00100