data_global
_amcsd_formula_title 'As1.43 Te0.46 Zr'
loop_
_publ_author_name
'Mosset A'
'Jeannin Y'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 7 
_journal_year 1973
_journal_page_first 124
_journal_page_last 131
_publ_section_title
;
 Etude cristallographique de l'arsenotellurure de zirconium quadratique
 _cod_database_code 1008961
;
_database_code_amcsd 0016826
_chemical_formula_sum 'As1.425 Zr1.005 Te.455'
_cell_length_a 3.82
_cell_length_b 3.82
_cell_length_c 8.17
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 119.220
_exptl_crystal_density_diffrn      7.145
_symmetry_space_group_name_H-M 'P 4/n m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-y,1/2-x,z'
  '1/2+y,1/2+x,-z'
  '1/2+y,-x,-z'
  '1/2-y,x,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2+x,1/2+y,-z'
  '1/2-x,1/2-y,z'
  'y,x,z'
  '-y,-x,-z'
  '-y,1/2+x,-z'
  'y,1/2-x,z'
  '1/2-x,y,z'
  '1/2+x,-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
As1   0.75000   0.25000   0.00000   1.00000
Zr1   0.25000   0.25000   0.25990   0.57500
As2   0.25000   0.25000   0.25990   0.42500
Zr2   0.25000   0.25000   0.61920   0.43000
Te1   0.25000   0.25000   0.61920   0.45500
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
As1 0.00300 0.00300 0.00400 0.00000 0.00000 0.00000
Zr1 0.00600 0.00600 0.00300 0.00000 0.00000 0.00000
As2 0.00600 0.00600 0.00300 0.00000 0.00000 0.00000