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: GH
 Note: Cell parameters are an average of Table 1 values
;
_database_code_amcsd 0013691
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Tl Cu7 Se4'
_cell_length_a 10.4500
_cell_length_b 10.4500
_cell_length_c 3.9708
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 433.621
_exptl_crystal_density_diffrn      7.391
_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
Tl   0.00000   0.00000   0.00000   1.00000
Cu1   0.02240   0.36670   0.00000   1.00000
Cu2   0.32130   0.21870   0.00000   0.75000
Se   0.24530   0.43200   0.00000   1.00000