data_global
_chemical_name_mineral 'Johninnesite'
loop_
_publ_author_name
'Grice J D'
'Dunn P J'
_journal_name_full 'American Mineralogist'
_journal_volume 79 
_journal_year 1994
_journal_page_first 991
_journal_page_last 995
_publ_section_title
;
 Johninnesite: Crystal-structure determination and its relationship to other
 arsenosilicates
;
_database_code_amcsd 0001674
_chemical_formula_sum 'Na2 Mn11 Mg5 As2 Si12 O50 H8'
_cell_length_a 10.485
_cell_length_b 11.065
_cell_length_c 9.654
_cell_angle_alpha 107.11
_cell_angle_beta 81.17
_cell_angle_gamma 111.86
_cell_volume 992.263
_exptl_crystal_density_diffrn      3.459
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,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
Na   0.51480   0.60950   0.27810   0.00430
Mn1   0.38330   0.04440   0.44240   0.00220
Mn2   0.60910   0.96040   0.20750   0.00230
Mn3   0.36200   0.03090   0.11150   0.00240
Mn4   0.01000   0.77290   0.42840   0.00230
Mn5   0.00000   0.00000   0.00000   0.00280
Mn6   0.98740   0.23800   0.25210   0.00260
Mg1   0.01370   0.76090   0.08530   0.00240
Mg2  -0.00150   0.49900   0.16840   0.00270
Mg3   0.00000   0.50000   0.50000   0.00270
As   0.82850   0.93040   0.33280   0.00280
Si1   0.28420   0.27350   0.05500   0.00230
Si2   0.28380   0.27350   0.36200   0.00250
Si3   0.72210   0.49960   0.37400   0.00220
Si4   0.72540   0.49950   0.05280   0.00220
Si5   0.71000   0.26060  -0.21100   0.00210
Si6   0.70410   0.25870   0.47880   0.00220
O1   0.86650   0.02670   0.20970   0.00280
O2   0.90730   0.81610   0.28670   0.00340
O3   0.65150   0.84540   0.33370   0.00240
O4   0.14710  -0.02700   0.49430   0.00300
O5   0.33720   0.39450  -0.03100   0.00290
O6  -0.11720   0.79030   0.95090   0.00240
O7   0.36040   0.16470  -0.00850   0.00220
O8   0.32580   0.35090   0.22790   0.00280
O9   0.36090   0.16490   0.32340   0.00250
O10   0.11770   0.21210   0.37770   0.00280
O11   0.34100   0.39550   0.51120   0.00290
O12  -0.34130  -0.64530  -0.58800   0.00310
O13   0.88810   0.55220   0.36780   0.00230
O14  -0.33510  -0.52000  -0.78470   0.00290
O15   0.89240   0.54990   0.03870   0.00240
O16   0.66250   0.35560  -0.06200   0.00300
O17   0.87420   0.29370  -0.21550   0.00220
O18   0.61710   0.10370  -0.23260   0.00190
O19  -0.32740  -0.69270  -0.34290   0.00300
O20   0.60980   0.10250   0.42650   0.00170
O21   0.86840   0.28960   0.45240   0.00250
O-H1   0.13540   0.96060   0.12050   0.00290
O-H2   0.09730   0.45060   0.29980   0.00240
O-H3   0.88450   0.29180   0.11580   0.00250
O-H4   0.59980   0.09960   0.09810   0.00270