data_global
_chemical_name_mineral 'Hurlbutite'
loop_
_publ_author_name
'Lindbloom J T'
'Gibbs G V'
'Ribbe P H'
_journal_name_full 'American Mineralogist'
_journal_volume 59 
_journal_year 1974
_journal_page_first 1267
_journal_page_last 1271
_publ_section_title
;
 The crystal structure of hurlbutite: A comparison with danburite and anorthite
;
_database_code_amcsd 0000431
_chemical_formula_sum 'Ca P2 Be2 O8'
_cell_length_a 8.299
_cell_length_b 8.782
_cell_length_c 7.798
_cell_angle_alpha 90
_cell_angle_beta 90.5
_cell_angle_gamma 90
_cell_volume 568.311
_exptl_crystal_density_diffrn      2.899
_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
Ca   0.38690   0.08630   0.24400   0.00836
P1m   0.26260   0.41770   0.43950   0.00912
Be1o   0.26800   0.42150   0.07070   0.00950
P2o   0.05880   0.19760  -0.06060   0.00481
Be2m   0.05660   0.19490   0.56980   0.00912
O1o   0.19280   0.08880   0.00280   0.00760
O1m   0.18810   0.07370   0.49650   0.00747
O2o   0.12240   0.36340  -0.05500   0.00684
O2m   0.12960   0.36890   0.56300   0.00988
O3o   0.42150   0.30960   0.06750   0.00912
O3m   0.40340   0.30650   0.43710   0.00773
O4   0.49990   0.65530   0.23880   0.00925
O5   0.18540   0.41990   0.25910   0.00975