data_global
_chemical_name_mineral 'Alluaudite'
loop_
_publ_author_name
'Antenucci D'
'Fransolet A M'
'Miehe G'
'Tarte P'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 7 
_journal_year 1995
_journal_page_first 175
_journal_page_last 181
_publ_section_title
;
 Synthese et cristallochimie de NaCaCdMg2(PO4)3,
 Phosphate nouveau a structure alluaudite sans cation trivalent
 Note: P2 y-coordinate changed to reproduce bond lengths
;
_database_code_amcsd 0006583
_chemical_formula_sum 'Na1.074 Cd.946 Ca.98 Mg2 P3 O12'
_cell_length_a 12.005
_cell_length_b 12.675
_cell_length_c 6.546
_cell_angle_alpha 90
_cell_angle_beta 114.55
_cell_angle_gamma 90
_cell_volume 906.017
_exptl_crystal_density_diffrn      3.694
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-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
NaX1   0.50000   0.00000   0.00000   0.47400   0.03546
CdX1   0.50000   0.00000   0.00000   0.52600   0.03546
NaX2   0.00000  -0.03050   0.25000   0.60000   0.02660
CaX2   0.00000  -0.03050   0.25000   0.40000   0.02660
CdM1   0.00000   0.26490   0.25000   0.42000   0.02153
CaM1   0.00000   0.26490   0.25000   0.58000   0.02153
MgM2   0.27640   0.65800   0.36300   1.00000   0.01646
P1   0.00000  -0.28060   0.25000   1.00000   0.02913
P2   0.23350  -0.10360   0.12960   1.00000   0.01267
O1   0.45260   0.71000   0.54200   1.00000   0.02406
O2   0.09500   0.64540   0.22500   1.00000   0.02406
O3   0.32900   0.66190   0.09800   1.00000   0.02406
O4   0.12700   0.41230   0.32100   1.00000   0.02406
O5   0.22900   0.83000   0.31700   1.00000   0.02406
O6   0.33300   0.49900   0.39100   1.00000   0.02406