data_global
_chemical_name_mineral 'Edoylerite'
loop_
_publ_author_name
'Burns P C'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 37 
_journal_year 1999
_journal_page_first 113
_journal_page_last 118
_publ_section_title
;
 The structure of edoylerite determined from a microcrystal
;
_database_code_amcsd 0005595
_chemical_formula_sum 'Hg3 Cr S2 O4'
_cell_length_a 7.5283
_cell_length_b 14.8325
_cell_length_c 7.4629
_cell_angle_alpha 90
_cell_angle_beta 118.746
_cell_angle_gamma 90
_cell_volume 730.634
_exptl_crystal_density_diffrn      7.108
_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
Hg1   0.16730   0.04320   0.36810   0.02650
Hg2   0.10330   0.14370  -0.08140   0.02560
Hg3   0.59520   0.16330   0.39760   0.02440
Cr   0.62000   0.09590   0.89170   0.01630
S1   0.24000   0.18650   0.26800   0.01780
S2  -0.06900   0.10340  -0.43100   0.02120
O1   0.49100   0.12300   0.00700   0.04300
O2   0.69300   0.19100   0.82000   0.04380
O3   0.48700   0.03300   0.69800   0.05330
O4   0.82400   0.03600   0.03700   0.03710
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
Hg1 0.02280 0.02680 0.02680 -0.00410 0.00950 0.00340
Hg2 0.02260 0.03180 0.01950 -0.00440 0.00770 -0.00200
Hg3 0.01470 0.03030 0.02580 0.00120 0.00780 0.00280
Cr 0.01180 0.02280 0.01530 0.00250 0.00730 0.00420
S1 0.01500 0.01680 0.01830 0.00170 0.00550 -0.00440
S2 0.01200 0.03340 0.01900 -0.00350 0.00800 -0.00780