data_global
_amcsd_formula_title 'Cu1.8 Mo6 S8'
loop_
_publ_author_name
'Baillif R'
'Yvon K'
'Fluekiger R'
'Muller J'
_journal_name_full 'Journal of Low Temperature Physics'
_journal_volume 37 
_journal_year 1979
_journal_page_first 2319
_journal_page_last 2379
_publ_section_title
;
 The tricilic structure of Cu1.8 Mo6 S8 in the superconducting state
 _cod_database_code 1008606
;
_database_code_amcsd 0016497
_chemical_formula_sum 'Mo3 S4 Cu.9'
_cell_length_a 6.479
_cell_length_b 6.569
_cell_length_c 6.559
_cell_angle_alpha 96.89
_cell_angle_beta 93.44
_cell_angle_gamma 95.74
_cell_volume 275.016
_exptl_crystal_density_diffrn      5.715
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mo1   0.22000   0.40600   0.54300   1.00000
Mo2   0.40600   0.53700   0.22100   1.00000
Mo3   0.54400   0.21900   0.40100   1.00000
S1   0.37300   0.14100   0.71600   1.00000
S2   0.13700   0.71700   0.38100   1.00000
S3   0.72800   0.38300   0.12600   1.00000
S4   0.20400   0.19600   0.20000   1.00000
Cu1   0.15900  -0.05800   0.90900   0.90000