data_global
_amcsd_formula_title 'Mg1.86Fe0.14SiS4'
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 0010192
_chemical_formula_sum 'Mg.931 Fe.069 Si.5 S3'
_cell_length_a 12.677
_cell_length_b 7.405
_cell_length_c 5.913
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 555.072
_exptl_crystal_density_diffrn      1.636
_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   0.44400   0.01241
FeM1   0.00000   0.00000   0.00000   0.05600   0.01241
MgM2   0.23044   0.25000   0.50820   0.48700   0.01178
FeM2   0.23044   0.25000   0.50820   0.01300   0.01178
Si   0.41038   0.25000   0.09352   0.50000   0.00798
S1   0.40767   0.25000   0.73832   0.50000   0.00937
S2   0.56518   0.25000   0.23935   0.50000   0.00937
S3   0.33372   0.02360   0.24687   1.00000   0.00963