data_global
_chemical_name_mineral 'Petricekite'
loop_
_publ_author_name
'Bindi L'
'Forster H J'
'Grundmann G'
'Keutsch F N'
'Stanley C J'
_journal_name_full 'Minerals'
_journal_volume 6 
_journal_year 2016
_journal_page_first 
_journal_page_last 33
_publ_section_title
;
 Petricekite, CuSe2, a new member of the marcasite group
 from the Predborice Deposit, Central Bohemia Region, Czech Republic
;
_database_code_amcsd 0020591
_chemical_compound_source 'Predborice Deposit, Central Bohemia Region, Czech Republic'
_chemical_formula_sum '(Cu.53 Fe.47) Se2'
_cell_length_a 4.918
_cell_length_b 6.001
_cell_length_c 3.570
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 105.361
_exptl_crystal_density_diffrn      6.867
_symmetry_space_group_name_H-M 'P n n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  'x,y,-z'
  '-x,-y,z'
  '-x,-y,-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
Cu   0.00000   0.00000   0.00000   0.53000   0.01250
Fe   0.00000   0.00000   0.00000   0.47000   0.01250
Se   0.19640   0.37830   0.00000   1.00000   0.02220