data_global
_chemical_name_mineral 'Anapaite'
loop_
_publ_author_name
'Rumanova I M'
'Znamenskaya M N'
_journal_name_full 'Soviet Physics Crystallography'
_journal_volume 5 
_journal_year 1961
_journal_page_first 650
_journal_page_last 658
_publ_section_title
;
 The crystal structure of anapaite
;
_database_code_amcsd 0015542
_chemical_compound_source 'Zhelezny Rog deposit near Anapa, Tamansk peninsula'
_chemical_formula_sum 'Ca2 Fe P2 O12 H8'
_cell_length_a 6.39
_cell_length_b 6.86
_cell_length_c 5.89
_cell_angle_alpha 101
_cell_angle_beta 104
_cell_angle_gamma 71
_cell_volume 235.099
_exptl_crystal_density_diffrn      2.811
_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
Ca   0.34100   0.21000   0.71000
Fe   0.00000   0.00000   0.00000
P   0.43300   0.72100   0.77600
O1   0.31900   0.37000   0.11600
O2   0.30800   0.55200   0.68100
O3   0.32400   0.87800   0.97800
O4   0.40900   0.84700   0.57500
Wat1   0.10100   0.21600   0.30900
Wat2   0.05300   0.75900   0.24800