data_global
_chemical_name_mineral 'Hsianghualite'
loop_
_publ_author_name
'Rastsvetaeva R K'
'Rekhlova O Y'
'Andrianov V I'
'Malinovskii Y A'
_journal_name_full 'Soviet Physics Doklady'
_journal_volume 36 
_journal_year 1991
_journal_page_first 11
_journal_page_last 13
_publ_section_title
;
 Crystal structure of hsianghualite
;
_database_code_amcsd 0015620
_chemical_compound_source 'China'
_chemical_formula_sum 'Li2 Ca3 Be3 Si3 O12 F2'
_cell_length_a 12.864
_cell_length_b 12.864
_cell_length_c 12.864
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 2128.767
_exptl_crystal_density_diffrn      2.967
_symmetry_space_group_name_H-M 'I 21 3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-z,-x,1/2+y'
  '-z,1/2-x,+y'
  '-z,1/2+x,1/2-y'
  '1/2-z,+x,-y'
  '1/2+z,1/2-x,-y'
  '+z,-x,1/2-y'
  'z,x,y'
  '1/2+z,1/2+x,1/2+y'
  '1/2+y,1/2-z,-x'
  '+y,-z,1/2-x'
  '1/2-y,-z,1/2+x'
  '-y,1/2-z,+x'
  '-y,1/2+z,1/2-x'
  '1/2-y,+z,-x'
  'y,z,x'
  '1/2+y,1/2+z,1/2+x'
  '-x,1/2+y,1/2-z'
  '1/2-x,+y,-z'
  '1/2+x,1/2-y,-z'
  '+x,-y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,1/2-y,+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Li1   0.47690   0.47690   0.47690   0.02406
Li2   0.22960   0.22960   0.22960   0.03293
Ca1   0.08630   0.00000   0.25000   0.02318
Ca2   0.50000   0.25000   0.34450   0.02394
Be   0.37080   0.32960   0.09350   0.02406
Si   0.12390   0.15530   0.42030   0.02115
O1   0.10340   0.39340   0.01210   0.02292
O2   0.06740   0.38240   0.20770   0.02254
O3   0.35840   0.14950   0.26200   0.02356
O4   0.36700   0.18240   0.45730   0.02406
F1   0.39540   0.39540   0.39540   0.02786
F2   0.14540   0.14540   0.14540   0.02660