data_global
_amcsd_formula_title 'Br Cu Hg S'
loop_
_publ_author_name
'Guillo M'
'Mercey B'
'Deschanvres G'
_journal_name_full 'Materials Research Bulletin'
_journal_volume 14 
_journal_year 1979
_journal_page_first 947
_journal_page_last 954
_publ_section_title
;
 Systemes CuX (X = Cl,Br) - HgS. Etude des composes CuHgSX (X = Cl,Br)
 _cod_database_code 1001287
;
_database_code_amcsd 0014272
_chemical_formula_sum 'Hg Cu S Br'
_cell_length_a 10.045
_cell_length_b 18.320
_cell_length_c 4.128
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 759.653
_exptl_crystal_density_diffrn      6.577
_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   0.00000   0.50000   0.00000
Hg2   0.00000   0.00000   0.00000
Hg3   0.26000   0.63800   0.00000
Cu1   0.44000   0.34000   0.50000
Cu2   0.06000   0.35000   0.50000
S1   0.00000   0.37000   0.00000
S2   0.50000   0.37000   0.00000
Br1   0.25000   0.26000   0.50000
Br2   0.25000   0.48000   0.50000