data_global
_amcsd_formula_title 'Cu Fe S2'
loop_
_publ_author_name
'Gross R'
'Gross N'
_journal_name_full 'Neues Jahrbuch fur Mineralogie, Geologie und Palaeontologie. Beilage'
_journal_volume 48 
_journal_year 1923
_journal_page_first 113
_journal_page_last 135
_publ_section_title
;
 Die Atomanordnung des Kupferkieses und die Struktur der
 Beruehrungsflaechen gesetzmaessig verwachsener
 Kristalle
 _cod_database_code 1010318
;
_database_code_amcsd 0017244
_chemical_formula_sum 'Cu Fe S2'
_cell_length_a 5.27
_cell_length_b 5.27
_cell_length_c 5.194
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 144.252
_exptl_crystal_density_diffrn      4.225
_symmetry_space_group_name_H-M 'P -4 2 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,-x,z'
  'y,-x,-z'
  '-x,y,-z'
  '-x,-y,z'
  'y,x,z'
  '-y,x,-z'
  'x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu1   0.00000   0.00000   0.00000
Cu2   0.50000   0.50000   0.00000
Fe1   0.50000   0.00000   0.50000
S1   0.25000   0.25000   0.19000