data_global
_chemical_name_mineral 'Lawrencite'
loop_
_publ_author_name
'Vettier C'
'Yelon W B'
_journal_name_full 'Journal of Physics and Chemistry of Solids'
_journal_volume 36 
_journal_year 1975
_journal_page_first 401
_journal_page_last 405
_publ_section_title
;
 The structure of FeCl2 at high pressures
 Note: P = 5.97 kbar
;
_database_code_amcsd 0018601
_chemical_formula_sum 'Fe Cl2'
_cell_length_a 3.585
_cell_length_b 3.585
_cell_length_c 5.735
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 63.833
_exptl_crystal_density_diffrn      3.297
_symmetry_space_group_name_H-M 'P -3 m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,-x,z'
  'y,-x+y,-z'
  '-x,-x+y,-z'
  '-x+y,-x,z'
  '-x+y,y,z'
  '-x,-y,-z'
  'y,x,-z'
  '-y,x-y,z'
  'x,x-y,z'
  'x-y,x,-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   0.00000   0.00000   0.00000   0.01646
Cl   0.33333   0.66667   0.23900   0.01393