data_global
_chemical_name_mineral 'Auerbakhite'
loop_
_publ_author_name
'Gostojic M'
'Edenharter A'
'Nowacki W'
'Engel P'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 158 
_journal_year 1982
_journal_page_first 43
_journal_page_last 51
_publ_section_title
;
 The crystal structure of synthetic Tl2MnAs2S5
;
_database_code_amcsd 0020917
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Tl2 Mn As2 S5'
_cell_length_a 15.340
_cell_length_b 7.608
_cell_length_c 16.651
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1943.283
_exptl_crystal_density_diffrn      5.290
_symmetry_space_group_name_H-M 'C m c a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,1/2-y,1/2+z'
  '1/2+x,-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '1/2-x,+y,1/2-z'
  '-x,y,z'
  '1/2-x,1/2+y,z'
  'x,-y,-z'
  '1/2+x,1/2-y,-z'
  'x,1/2+y,1/2-z'
  '1/2+x,+y,1/2-z'
  '-x,1/2-y,1/2+z'
  '1/2-x,-y,1/2+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
Tl1   0.00000   0.41290   0.17490
Tl2   0.64060   0.00000   0.00000
Mn   0.25000   0.35640   0.25000
As   0.11490   0.03360   0.10430
S1   0.00000   0.84290   0.11550
S2   0.13210   0.10870   0.23450
S3   0.28040   0.33250   0.09860
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
Tl1 0.02027 0.03431 0.02950 0.00000 0.00000 0.01155
Tl2 0.01907 0.05571 0.03511 0.00000 0.02717 0.00000
Mn 0.01311 0.02053 0.01545 0.00000 -0.00129 0.00000
As 0.00715 0.01642 0.00983 0.00355 0.00000 0.00321
S1 0.00834 0.02111 0.02528 0.00000 0.00000 -0.00064
S2 0.00954 0.01437 0.01264 -0.00059 0.00129 -0.00321
S3 0.01192 0.01818 0.01264 -0.00532 -0.00129 0.00000