data_global
_chemical_name_mineral 'Lautite'
loop_
_publ_author_name
'Craig D C'
'Stephenson N C'
_journal_name_full 'Acta Crystallographica'
_journal_volume 19 
_journal_year 1965
_journal_page_first 543
_journal_page_last 547
_publ_section_title
;
 The crystal structure of lautite, CuAsS
;
_database_code_amcsd 0009298
_chemical_compound_source 'Lauta, Saxony, Germany'
_chemical_formula_sum 'Cu As S'
_cell_length_a 11.35
_cell_length_b 5.456
_cell_length_c 3.749
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 232.159
_exptl_crystal_density_diffrn      4.879
_symmetry_space_group_name_H-M 'P n a 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,1/2+z'
  '-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu   0.32617   0.43823   0.22992
As   0.48668   0.14766   0.21867
S   0.16668   0.17903   0.21283
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 0.01958 0.05414 0.03809 0.00000 0.03945 -0.00176
As 0.02872 0.04630 0.03218 0.00000 0.00862 0.00124
S 0.02284 0.06530 0.01559 0.00000 0.03233 -0.00124