data_global
_chemical_name_mineral 'Viitaniemiite'
loop_
_publ_author_name
'Pajunen A'
'Lahti S I'
_journal_name_full 'American Mineralogist'
_journal_volume 69 
_journal_year 1984
_journal_page_first 961
_journal_page_last 966
_publ_section_title
;
 The crystal structure of viitaniemiite
;
_database_code_amcsd 0000961
_chemical_compound_source 'Viitaniemi pegmatite, Orivesi, southern Finland'
_chemical_formula_sum 'Ca.592 Mn.401 Al Na P F2 O5 H'
_cell_length_a 5.457
_cell_length_b 7.151
_cell_length_c 6.836
_cell_angle_alpha 90
_cell_angle_beta 109.36
_cell_angle_gamma 90
_cell_volume 251.677
_exptl_crystal_density_diffrn      3.242
_symmetry_space_group_name_H-M 'P 1 21/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca   0.50000   0.00000   0.50000   0.59200
Mn   0.50000   0.00000   0.50000   0.40100
Al   0.00000   0.00000   0.00000   1.00000
Na   0.46750   0.25000  -0.04630   1.00000
P  -0.03660   0.25000   0.36830   1.00000
F   0.34680   0.00300   0.15470   1.00000
O1   0.24560   0.25000   0.51600   1.00000
O2  -0.23360   0.25000   0.48600   1.00000
O3  -0.08500   0.07550   0.23000   1.00000
O4   0.02390   0.25000  -0.08150   1.00000
H  -0.00500   0.25000  -0.20100   1.00000
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
Ca 0.01720 0.00990 0.00940 -0.00110 0.00480 -0.00090
Mn 0.01720 0.00990 0.00940 -0.00110 0.00480 -0.00090
Al 0.01250 0.00760 0.00680 -0.00060 0.00290 -0.00030
Na 0.02750 0.02350 0.03870 0.00000 0.02980 0.00000
P 0.01170 0.01020 0.00660 0.00000 0.00410 0.00000
F 0.01370 0.01600 0.01540 -0.00010 0.00080 0.00310
O1 0.01330 0.03700 0.01360 0.00000 0.00460 0.00000
O2 0.01510 0.01880 0.00800 0.00000 0.00670 0.00000
O3 0.04010 0.00830 0.01680 -0.00460 0.01940 -0.00100
O4 0.01910 0.00760 0.00630 0.00000 0.00520 0.00000