data_global
_chemical_name_mineral 'Luzonite'
loop_
_publ_author_name
'Marumo F'
'Nowacki W'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 124 
_journal_year 1967
_journal_page_first 1
_journal_page_last 8
_publ_section_title
;
 A refinement of the crystal structure of luzonite, Cu3AsS4
;
_database_code_amcsd 0010631
_chemical_compound_source 'Cerro de Pasco, Peru'
_chemical_formula_sum 'Cu3 (As.685 Sb.315) S4'
_cell_length_a 5.332
_cell_length_b 5.332
_cell_length_c 10.570
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 300.507
_exptl_crystal_density_diffrn      4.515
_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
Cu1   0.00000   0.50000   0.25000   1.00000   0.02001
Cu2   0.00000   0.00000   0.50000   1.00000   0.02001
As   0.00000   0.00000   0.00000   0.68500   0.00697
Sb   0.00000   0.00000   0.00000   0.31500   0.00697
S   0.24420   0.24420   0.12480   1.00000   0.01267
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
Cu1 0.01967 0.01967 0.02060 0.00000 0.00000 0.00000
Cu2 0.01999 0.01999 0.01992 0.00000 0.00000 0.00000
As 0.00635 0.00635 0.00809 0.00000 0.00000 0.00000
Sb 0.00635 0.00635 0.00809 0.00000 0.00000 0.00000
S 0.01246 0.01246 0.01313 0.00006 -0.00011 -0.00011