data_global
_amcsd_formula_title 'CuHgClSe'
loop_
_publ_author_name
'Guillo M'
'Mercey B'
'Labbe P'
'Deschanvres A'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 36 
_journal_year 1980
_journal_page_first 2520
_journal_page_last 2523
_publ_section_title
;
 The Structure of Copper(I) Mercury(II) Chloride Selenide
 _cod_database_code 1001109
;
_database_code_amcsd 0009717
_chemical_formula_sum 'Hg Se Cu Cl'
_cell_length_a 6.9444
_cell_length_b 12.7561
_cell_length_c 4.2526
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 376.710
_exptl_crystal_density_diffrn      6.675
_symmetry_space_group_name_H-M 'P b a m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  'x,y,-z'
  '-x,-y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Hg1   0.10824   0.26060   0.00000
Se1   0.33940   0.11180   0.00000
Cu1   0.24450   0.04610   0.50000
Cl1   0.35450   0.37670   0.50000
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 0.00860 0.00300 0.03730 0.00150 0.00000 0.00000
Se1 0.00740 0.00160 0.02630 -0.00020 0.00000 0.00000
Cu1 0.04320 0.00350 0.03550 -0.00580 0.00000 0.00000
Cl1 0.01110 0.00190 0.03400 0.00090 0.00000 0.00000