data_global
_chemical_name_mineral 'Herderite'
loop_
_publ_author_name
'Pavlov P V'
'Belov N V'
_journal_name_full 'Soviet Physics Crystallography'
_journal_volume 4 
_journal_year 1959
_journal_page_first 300
_journal_page_last 314
_publ_section_title
;
 The structures of herderite, datolite and gadolinite determined by direct
 methods
;
_database_code_amcsd 0015537
_chemical_compound_source 'not given, but the crystal was natural'
_chemical_formula_sum 'Ca Be P O4 F'
_cell_length_a 9.80
_cell_length_b 7.68
_cell_length_c 4.80
_cell_angle_alpha 90
_cell_angle_beta 90.1
_cell_angle_gamma 90
_cell_volume 361.267
_exptl_crystal_density_diffrn      2.998
_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
Ca   0.33000   0.11300   0.99500
Be   0.33300   0.40800   0.55800
P   0.07900   0.26900   0.47500
O1   0.04100   0.39700   0.25000
O2   0.45600   0.27800   0.65000
O3   0.19500   0.34300   0.67300
O4   0.14100   0.11100   0.33300
F   0.33000   0.41700   0.20900