data_global
_chemical_name_mineral 'Crookesite'
loop_
_publ_author_name
'Eriksson L'
'Werner P E'
'Berger R'
'Meerschaut A'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 90 
_journal_year 1991
_journal_page_first 61
_journal_page_last 68
_publ_section_title
;
 Structure refinement of TlCu7Se4 from X-ray powder profile data
 Sample: Single crystal
;
_database_code_amcsd 0013693
_chemical_compound_source 'Skrikerum mine, Sweden'
_chemical_formula_sum 'Tl Cu6.52 Se4'
_cell_length_a 10.4445
_cell_length_b 10.4445
_cell_length_c 3.9378
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 429.565
_exptl_crystal_density_diffrn      7.225
_symmetry_space_group_name_H-M 'I 4/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
Tl   0.00000   0.00000   0.00000   1.00000   0.04939
Cu1   0.02080   0.36800   0.00000   1.00000   0.04306
Cu2   0.32400   0.22000   0.00000   0.63000   0.04559
Se   0.24360   0.43090   0.00000   1.00000   0.03800