data_global
_chemical_name_mineral 'Paakkonenite'
loop_
_publ_author_name
'Bonazzi P'
'Borrini D'
'Mazzi F'
'Olmi F'
_journal_name_full 'American Mineralogist'
_journal_volume 80 
_journal_year 1995
_journal_page_first 1054
_journal_page_last 1058
_publ_section_title
;
 Crystal structure and twinning of Sb2AsS2, the synthetic analogue of
 paakkonenite
;
_database_code_amcsd 0001758
_chemical_formula_sum 'Sb2 As S2'
_cell_length_a 10.75
_cell_length_b 3.959
_cell_length_c 12.49
_cell_angle_alpha 90
_cell_angle_beta 115.25
_cell_angle_gamma 90
_cell_volume 480.777
_exptl_crystal_density_diffrn      5.285
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Sb1  -0.04520   0.00000   0.17550
Sb2   0.31190   0.50000   0.39790
As  -0.10580   0.50000   0.01560
S1   0.21140   0.00000   0.23760
S2   0.09370   0.50000   0.40840
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
Sb1 0.03300 0.01500 0.03000 0.00000 0.01700 0.00000
Sb2 0.02700 0.02700 0.05800 0.00000 0.02200 0.00000
As 0.02500 0.01500 0.01100 0.00000 0.00500 0.00000
S1 0.03000 0.02000 0.00500 0.00000 0.01000 0.00000
S2 0.03100 0.02000 0.05700 0.00000 0.02900 0.00000