data_global
_chemical_name_mineral 'Chalcostibite'
loop_
_publ_author_name
'Razmara M F'
'Henderson C M B'
'Pattrick R A D'
'Bell A M T'
'Charnock L M'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 61 
_journal_year 1997
_journal_page_first 79
_journal_page_last 88
_publ_section_title
;
 The crystal chemistry of the solid solution series between chalcostibite (CuSbS2) and emplectite (CuBiS2)
 Note: synthetic
;
_database_code_amcsd 0014524
_chemical_formula_sum 'Cu Sb S2'
_cell_length_a 6.0160
_cell_length_b 3.7968
_cell_length_c 14.499
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 331.180
_exptl_crystal_density_diffrn      5.003
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-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
Cu   0.74630   0.75000   0.17210   0.02786
Sb   0.22450   0.25000   0.06360   0.00633
S1   0.62400   0.25000   0.09600   0.01267
S2   0.13100   0.75000   0.17870   0.01267