data_global
_amcsd_formula_title 'RuTe2'
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 0015793
_chemical_formula_sum 'Ru Te2'
_cell_length_a 6.3910
_cell_length_b 6.3910
_cell_length_c 6.3910
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 261.040
_exptl_crystal_density_diffrn      9.065
_symmetry_space_group_name_H-M 'P a 3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+z,x,1/2-y'
  'z,1/2-x,1/2+y'
  '1/2-z,1/2+x,y'
  '-z,-x,-y'
  '1/2+y,1/2-z,-x'
  '1/2-y,-z,1/2+x'
  '-y,1/2+z,1/2-x'
  'y,z,x'
  'x,1/2-y,1/2+z'
  '1/2-x,1/2+y,z'
  '1/2+x,y,1/2-z'
  '-x,-y,-z'
  '1/2-z,-x,1/2+y'
  '-z,1/2+x,1/2-y'
  '1/2+z,1/2-x,-y'
  'z,x,y'
  '1/2-y,1/2+z,x'
  '1/2+y,z,1/2-x'
  'y,1/2-z,1/2+x'
  '-y,-z,-x'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ru   0.00000   0.00000   0.00000
Te   0.37306   0.37306   0.37306
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
Ru 0.00290 0.00290 0.00290 0.00000 0.00000 0.00000
Te 0.00360 0.00360 0.00360 0.00030 0.00030 0.00030