data_global
_chemical_name_mineral 'Lorandite'
loop_
_publ_author_name
'Zemann A'
'Zemann J'
_journal_name_full 'Acta Crystallographica'
_journal_volume 12 
_journal_year 1959
_journal_page_first 1002
_journal_page_last 1006
_publ_section_title
;
 Zur kenntnis der kristallstruktur von lorandit, TlAsS2
;
_database_code_amcsd 0009237
_chemical_formula_sum 'Tl As S2'
_cell_length_a 12.27
_cell_length_b 11.33
_cell_length_c 6.11
_cell_angle_alpha 90
_cell_angle_beta 104.2
_cell_angle_gamma 90
_cell_volume 823.453
_exptl_crystal_density_diffrn      5.540
_symmetry_space_group_name_H-M 'P 1 21/a 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-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
Tl1   0.05100   0.31300   0.16000   0.04749
Tl2   0.10100   0.05600   0.73200   0.04749
As1   0.19000   0.82000   0.23700   0.04749
As2   0.15100   0.58500   0.55400   0.04749
S1   0.12500   0.32000   0.75000   0.04749
S2   0.15000   0.58000   0.20000   0.04749
S3   0.12500   0.79000   0.51000   0.04749
S4   0.20000   0.03000   0.20000   0.04749