data_global
_chemical_name_mineral 'Pseudolaueite'
loop_
_publ_author_name
'Baur W H'
_journal_name_full 'American Mineralogist'
_journal_volume 54 
_journal_year 1969
_journal_page_first 1312
_journal_page_last 1323
_publ_section_title
;
 A comparison of the crystal structures of pseudolaueite and laueite
;
_database_code_amcsd 0000193
_chemical_formula_sum 'Mn Fe2 P2 O18 H18'
_cell_length_a 9.647
_cell_length_b 7.428
_cell_length_c 10.194
_cell_angle_alpha 90
_cell_angle_beta 104.63
_cell_angle_gamma 90
_cell_volume 706.797
_exptl_crystal_density_diffrn      2.512
_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
Mn   0.00000   0.00000   0.00000   0.01646
Fe   0.24660   0.12940   0.50150   0.00760
P   0.51170   0.37530   0.68230   0.01013
O1   0.16070   0.10010   0.65850   0.01267
O2   0.43680   0.21380   0.60330   0.01267
O3   0.03220   0.15540   0.83570   0.01520
O4   0.07340   0.04950   0.35920   0.01520
O-H5   0.67740   0.12050   0.48050   0.01267
Wat6   0.34000   0.16760   0.33210   0.02786
Wat7   0.24610   0.96360   0.08180   0.02786
Wat8   0.01690   0.23300   0.12760   0.02153
Wat9   0.37020   0.05730   0.88170   0.02280