data_global
_chemical_name_mineral 'Atelestite'
loop_
_publ_author_name
'Mereiter K'
'Preisinger A'
_journal_name_full 'Anzeiger der Osterreichische Akademie der Wissenschaften'
_journal_volume 123 
_journal_year 1986
_journal_page_first 79
_journal_page_last 81
_publ_section_title
;
 Kristallstrukturdaten der wismutminerale atelestit, mixit und pucherit
;
_database_code_amcsd 0012025
_chemical_compound_source 'Schneeberg, Saxony, Germany'
_chemical_formula_sum 'Bi2 As O6 H'
_cell_length_a 7.000
_cell_length_b 7.430
_cell_length_c 10.831
_cell_angle_alpha 90
_cell_angle_beta 107.08
_cell_angle_gamma 90
_cell_volume 538.475
_exptl_crystal_density_diffrn      7.276
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+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
Bi1   0.25070   0.41930   0.47330   0.01013
Bi2   0.40620   0.83750   0.66390   0.01140
As1   0.13190   0.57090   0.83140   0.00887
O1   0.50200   0.58400   0.60300   0.01013
O-H2   0.37900   0.24400   0.64600   0.01267
O3   0.19400   0.63300   0.69800   0.01520
O4   0.18500   0.73200   0.94700   0.02153
O5   0.27000   0.38500   0.88900   0.01646
O6  -0.11300   0.53200   0.77900   0.01773