data_global
_amcsd_formula_title 'Cu O12 P3 Zr2'
loop_
_publ_author_name
'Bussereau I'
'Belkhiria M'
'Gravereau P'
'Boireau A'
'Soubeyroux J'
'Olazcuaga R'
'Le Flem G'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 48 
_journal_year 1992
_journal_page_first 1741
_journal_page_last 1744
_publ_section_title
;
 Structure of CuZr2(PO4)3 by X-ray and neutron powder diffraction
 _cod_database_code 1008577
;
_database_code_amcsd 0016468
_chemical_formula_sum 'Cu Zr2 P3 O12'
_cell_length_a 8.9018
_cell_length_b 8.9018
_cell_length_c 22.2021
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1523.633
_exptl_crystal_density_diffrn      3.472
_symmetry_space_group_name_H-M 'R -3 c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'x,x-y,1/2+z'
  '2/3+x,1/3+x-y,5/6+z'
  '1/3+x,2/3+x-y,1/6+z'
  'y,x,1/2-z'
  '2/3+y,1/3+x,5/6-z'
  '1/3+y,2/3+x,1/6-z'
  '-x+y,y,1/2+z'
  '2/3-x+y,1/3+y,5/6+z'
  '1/3-x+y,2/3+y,1/6+z'
  '-x,-x+y,1/2-z'
  '2/3-x,1/3-x+y,5/6-z'
  '1/3-x,2/3-x+y,1/6-z'
  '-y,-x,1/2+z'
  '2/3-y,1/3-x,5/6+z'
  '1/3-y,2/3-x,1/6+z'
  'x-y,-y,1/2-z'
  '2/3+x-y,1/3-y,5/6-z'
  '1/3+x-y,2/3-y,1/6-z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1   0.04540  -0.09770   0.00070   0.16670
Zr1   0.00000   0.00000   0.14190   1.00000
P1   0.28610   0.00000   0.25000   1.00000
O1   0.18390  -0.00820   0.19150   1.00000
O2   0.19490   0.16667   0.08320   1.00000