data_global
_chemical_name_mineral 'Valleriite'
loop_
_publ_author_name
'Hiller J'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 101 
_journal_year 1939
_journal_page_first 425
_journal_page_last 434
_publ_section_title
;
 Zur Kristallstruktur des Valleriits
 _cod_database_code 1011125
;
_database_code_amcsd 0018019
_chemical_formula_sum 'S7 Fe4 Cu2'
_cell_length_a 6.13
_cell_length_b 9.81
_cell_length_c 11.4
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 685.542
_exptl_crystal_density_diffrn      2.785
_symmetry_space_group_name_H-M 'P m m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,-y,z'
  '-x,y,-z'
  '1/2-x,y,z'
  '1/2+x,-y,-z'
  '1/2+x,y,-z'
  '1/2-x,-y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
S1   0.25000   0.25000   0.10000
S2   0.25000   0.50000  -0.10000
S3   0.25000   0.00000  -0.10000
S4   0.25000   0.16670  -0.41670
S5   0.25000   0.50000   0.41670
Fe1   0.06250   0.37500   0.22220
Cu1   0.02780   0.00000   0.25000