data_global
_amcsd_formula_title 'Mg1.4Fe0.6SiS4'
loop_
_publ_author_name
'Fuhrmann J'
'Pickardt J'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 46 
_journal_year 1990
_journal_page_first 1996
_journal_page_last 1998
_publ_section_title
;
 Synthesis and structure of magnesium iron thiosilicates (Mg1-xFex)2SiS4
;
_database_code_amcsd 0010191
_chemical_formula_sum 'Mg.697 Fe.303 Si.5 S3'
_cell_length_a 12.633
_cell_length_b 7.348
_cell_length_c 5.901
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 547.774
_exptl_crystal_density_diffrn      1.747
_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_occupancy
_atom_site_U_iso_or_equiv
MgM1   0.00000   0.00000   0.00000   0.28300   0.01140
FeM1   0.00000   0.00000   0.00000   0.21700   0.01140
MgM2   0.23039   0.25000   0.50848   0.41400   0.01039
FeM2   0.23039   0.25000   0.50848   0.08600   0.01039
Si   0.41096   0.25000   0.09344   0.50000   0.00760
S1   0.40830   0.25000   0.73625   0.50000   0.00887
S2   0.56613   0.25000   0.24055   0.50000   0.00899
S3   0.33430   0.02186   0.24750   1.00000   0.00925