data_global
_chemical_name_mineral 'Famatinite'
loop_
_publ_author_name
'Pfitzner A'
'Bernert T'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 219 
_journal_year 2004
_journal_page_first 20
_journal_page_last 26
_publ_section_title
;
 The system Cu3AsS4 - Cu3SbS4 and investigations on normal tetrahedral structures
 Sample: Cu3As0.3Sb0.7S4
;
_database_code_amcsd 0011106
_chemical_compound_source 'Synthetic'
_chemical_formula_sum '(Sb.736 As.264) Cu3 S4'
_cell_length_a 5.353
_cell_length_b 5.353
_cell_length_c 10.652
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 305.229
_exptl_crystal_density_diffrn      4.660
_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
_atom_site_U_iso_or_equiv
Sb   0.00000   0.00000   0.00000   0.73600   0.01190
As   0.00000   0.00000   0.00000   0.26400   0.01190
Cu1   0.50000   0.00000   0.25000   1.00000   0.02330
Cu2   0.50000   0.50000   0.00000   1.00000   0.02300
S   0.25010   0.25010   0.12730   1.00000   0.01610
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
Sb 0.01190 0.01190 0.01200 0.00000 0.00000 0.00000
As 0.01190 0.01190 0.01200 0.00000 0.00000 0.00000
Cu1 0.02240 0.02240 0.02510 0.00000 0.00000 0.00000
Cu2 0.02280 0.02280 0.02330 0.00000 0.00000 0.00000
S 0.01560 0.01560 0.01730 0.00040 0.00080 0.00080