data_global
_chemical_name_mineral 'Troilite'
loop_
_publ_author_name
'King H E'
'Prewitt C T'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 38
_journal_year 1982
_journal_page_first 1877
_journal_page_last 1887
_publ_section_title
;
 High-pressure and high-temperature polymorphism of iron sulfides (FeS)
 Sample: T = 294 K, P = 3.33 GPa
;
_database_code_amcsd 9771
_chemical_formula_sum 'Fe S'
_cell_length_a 5.861
_cell_length_b 5.861
_cell_length_c 11.577
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0
_cell_volume 344.405
_exptl_crystal_density_diffrn  5.086
_symmetry_space_group_name_H-M 'P -6 2 c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  '-x+y,-x,1/2-z'
  'y,x,-z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  'x,y,1/2-z'
  '-x,-x+y,-z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  '-y,x-y,1/2-z'
  'x-y,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Fe   0.3779  0.0556  0.1228  0.01381
S1   0.0  0.0  0.0  0.01013
S2   0.333333  0.666667  0.0227  0.01077
S3   0.665  -0.0056  0.25  0.00861