data_global
_chemical_name_mineral 'Colusite'
loop_
_publ_author_name
'Frank-Kamenetskaya O V'
'Rozhdestvenskaya I V'
'Yanulova L A'
_journal_name_full 'Journal of Structural Chemistry'
_journal_volume 43 
_journal_year 2002
_journal_page_first 89
_journal_page_last 100
_publ_section_title
;
 New data on the crystal structures of colusites and arsenosulvanites
 Sample: 2
;
_database_code_amcsd 0014061
_chemical_compound_source 'Butte, Montana, USA'
_chemical_formula_sum 'Cu12.67 V.9 (As2.1 Sb.24 Sn.06 Ge.6) S16'
_cell_length_a 10.600
_cell_length_b 10.600
_cell_length_c 10.600
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1191.016
_exptl_crystal_density_diffrn      4.465
_symmetry_space_group_name_H-M 'P -4 3 n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-z,x,-y'
  '-y,z,-x'
  '-x,y,-z'
  '1/2+x,1/2-z,1/2-y'
  '1/2+z,1/2-y,1/2-x'
  '1/2+y,1/2-x,1/2-z'
  '1/2+x,1/2+z,1/2+y'
  '1/2+z,1/2+y,1/2+x'
  '1/2+y,1/2+x,1/2+z'
  '-z,-x,y'
  '-y,-z,x'
  '-x,-y,z'
  'z,-x,-y'
  'y,-z,-x'
  'x,-y,-z'
  '1/2-x,1/2+z,1/2-y'
  '1/2-z,1/2+y,1/2-x'
  '1/2-y,1/2+x,1/2-z'
  '1/2-x,1/2-z,1/2+y'
  '1/2-z,1/2-y,1/2+x'
  '1/2-y,1/2-x,1/2+z'
  'z,x,y'
  'y,z,x'
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
CuT*1   0.00000   0.00000   0.00000   0.75000   0.00200
CuT2   0.25000   0.00000   0.50000   0.92000   0.02200
CuT3   0.25690   0.00000   0.00000   1.00000   0.02200
CuT4   0.24980   0.24980   0.24980   0.79000   0.01720
VT*2   0.00000   0.00000   0.50000   0.30000   0.09000
AsT1   0.25000   0.50000   0.00000   0.70000   0.01700
SbT1   0.25000   0.50000   0.00000   0.08000   0.01700
SnT1   0.25000   0.50000   0.00000   0.02000   0.01700
GeT1   0.25000   0.50000   0.00000   0.20000   0.01700
S1   0.12230   0.12230   0.12230   1.00000   0.02000
S2   0.11860   0.36760   0.37640   1.00000   0.00700