data_global
_chemical_name_mineral 'Ludlamite'
loop_
_publ_author_name
'Ito T'
'Mori H'
_journal_name_full 'Acta Crystallographica'
_journal_volume 4 
_journal_year 1951
_journal_page_first 412
_journal_page_last 416
_publ_section_title
;
 The crystal structure of ludlamite
;
_database_code_amcsd 0009144
_chemical_compound_source 'Ashio, Japan'
_chemical_formula_sum 'Fe3 P2 O12 H8'
_cell_length_a 10.45
_cell_length_b 4.65
_cell_length_c 9.25
_cell_angle_alpha 90
_cell_angle_beta 90.
_cell_angle_gamma 90
_cell_volume 449.481
_exptl_crystal_density_diffrn      3.174
_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
Fe1   0.00000   0.00000   0.00000
Fe2   0.17000   0.08000   0.32800
P   0.45500   0.96000   0.23300
O1   0.03600   0.82000   0.19800
O2   0.40800   0.19000   0.10200
O3   0.32500   0.86000   0.29000
O4   0.03500   0.38000   0.36000
Wat1   0.16200   0.27000   0.11200
Wat2   0.33200   0.38000   0.44600