data_global
_chemical_name_mineral 'Lollingite'
loop_
_publ_author_name
'Lutz H D'
'Jung M'
'Waschenbach G'
_journal_name_full 'Zeitschrift fur Anorganische und Allgemeine Chemie'
_journal_volume 554 
_journal_year 1987
_journal_page_first 87
_journal_page_last 91
_publ_section_title
;
 Kristallstrukturen des lollingits FeAs2 und des pyrits RuTe2
;
_database_code_amcsd 0015792
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Fe As2'
_cell_length_a 5.3001
_cell_length_b 5.9838
_cell_length_c 2.8821
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 91.405
_exptl_crystal_density_diffrn      7.473
_symmetry_space_group_name_H-M 'P n n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  'x,y,-z'
  '-x,-y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe   0.00000   0.00000   0.00000
As   0.17600   0.36250   0.00000
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Fe 0.00710 0.00550 0.00460 -0.00010 0.00000 0.00000
As 0.00770 0.00570 0.00560 -0.00070 0.00000 0.00000