data_global
_chemical_name_mineral 'Allactite'
loop_
_publ_author_name
'Moore P B'
_journal_name_full 'American Mineralogist'
_journal_volume 53
_journal_year 1968
_journal_page_first 733
_journal_page_last 741
_publ_section_title
;
 Crystal chemistry of the basic manganese arsenate minerals: II. The crystal
 structure of allactite
;
_database_code_amcsd 169
_chemical_formula_sum 'Mn7 As2 (O16 H8)'
_cell_length_a 11.03
_cell_length_b 12.12
_cell_length_c 5.51
_cell_angle_alpha 90.0
_cell_angle_beta 114.07
_cell_angle_gamma 90.0
_cell_volume 672.548
_exptl_crystal_density_diffrn  3.943
_symmetry_space_group_name_H-M 'P 1 21/a 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-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_U_iso_or_equiv
Mn1   0.0  0.0  0.0  0.01646
Mn2   0.2101  0.1801  -0.0604  0.01203
Mn3   -0.0067  0.4308  0.7404  0.01039
Mn4   -0.0001  0.2893  0.2516  0.01292
As   -0.2079  0.0794  0.3262  0.00228
O-H1   0.1152  0.3065  0.6733  0.01355
O2   -0.1219  0.5717  0.8256  0.00709
O-H3   0.0938  0.1554  0.1726  0.01849
O4   -0.166  0.2017  0.2525  0.01862
O-H5   -0.1153  0.4373  0.3116  0.01722
O-H6   0.1257  0.6831  0.1744  0.01165
O7   -0.1414  -0.0187  0.2131  0.01178
O8   0.338  0.4259  0.6601  0.01722