data_global
_chemical_name_mineral 'Lautite'
loop_
_publ_author_name
'Bindi L'
'Catelani T'
'Chelazzi L'
'Paola B'
_journal_name_full 'Acta Crystallographica, Section E'
_journal_volume 64 
_journal_year 2008
_journal_page_first i22
_journal_page_last i22
_publ_section_title
;
 Reinvestigation of the crystal structure of lautite, CuAsS
;
_database_code_amcsd 0010484
_chemical_compound_source 'Marienberg, Saxony, Germany'
_chemical_formula_sum 'Cu As S'
_cell_length_a 11.347
_cell_length_b 3.7533
_cell_length_c 5.453
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 232.236
_exptl_crystal_density_diffrn      4.877
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cu   0.17454   0.25000   0.06264   0.01650
As   0.01373   0.25000   0.35177   0.00894
S   0.16576   0.75000   0.81960   0.01000
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Cu 0.01710 0.01680 0.01570 0.00000 -0.00150 0.00000
As 0.01050 0.00840 0.00800 0.00000 0.00083 0.00000
S 0.01080 0.01140 0.00790 0.00000 -0.00050 0.00000