data_global
_chemical_name_mineral 'Zalesiite'
loop_
_publ_author_name
'Aruga A'
'Nakai I'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 41 
_journal_year 1985
_journal_page_first 161
_journal_page_last 163
_publ_section_title
;
 Structure of Ca-rich agardite,
 (Ca0.40Y0.31Fe0.09Ce0.06La0.04Nd0.01)Cu6.19[(AsO4)2.42(HAsO4)0.49](OH)6.38*3H2O
;
_database_code_amcsd 0019728
_chemical_compound_source 'Setoda, Hiroshima, Japan'
_chemical_formula_sum 'Cu6 Ca.4 Fe.09 Y.31 Ce.06 La.04 Nd.01 As3 O21 H12.96'
_cell_length_a 15.583
_cell_length_b 15.583
_cell_length_c 5.895
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1239.700
_exptl_crystal_density_diffrn      2.730
_symmetry_space_group_name_H-M 'P 63/m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x+y,-x,1/2-z'
  'x-y,x,1/2+z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  'x-y,x,-z'
  '-x+y,-x,z'
  '-y,x-y,1/2-z'
  'y,-x+y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Cu   0.41184   0.31497  -0.00210   1.00000   0.01127
Ca   0.66667   0.33333   0.25000   0.40000   0.01001
Fe   0.66667   0.33333   0.25000   0.09000   0.01001
Y   0.66667   0.33333   0.25000   0.31000   0.01001
Ce   0.66667   0.33333   0.25000   0.06000   0.01001
La   0.66667   0.33333   0.25000   0.04000   0.01001
Nd   0.66667   0.33333   0.25000   0.01000   0.01001
As   0.34380   0.49480   0.25000   1.00000   0.00823
O1   0.19890   0.41250   0.25000   1.00000   0.01064
O2   0.39200   0.40110   0.25000   1.00000   0.01165
O3   0.57250   0.18080  -0.01600   0.84000   0.01431
O-H3   0.57250   0.18080  -0.01600   0.16000   0.01431
O-H4   0.44000   0.24440   0.25000   1.00000   0.01760
O-H5   0.37660   0.00900   0.25000   1.00000   0.01140
Wat6   0.15600   0.00700  -0.06500   0.50000   0.18998