data_global
_chemical_name_mineral 'Prosopite'
loop_
_publ_author_name
'Pudovkina Z V'
'Pyatenko Y A'
_journal_name_full 'Doklady Akademii Nauk SSSR'
_journal_volume 190 
_journal_year 1970
_journal_page_first 665
_journal_page_last 667
_publ_section_title
;
 About the structure of the prosopite, Ca[Al2F4(OH)4], and about
 some features of the fluoroaluminate crystal chemistry
;
_database_code_amcsd 0012448
_chemical_formula_sum 'Ca Al2 F4 (O4 H4)'
_cell_length_a 6.76
_cell_length_b 11.12
_cell_length_c 7.32
_cell_angle_alpha 90
_cell_angle_beta 95.00
_cell_angle_gamma 90
_cell_volume 548.159
_exptl_crystal_density_diffrn      2.885
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-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
Ca   0.00000   0.46100   0.25000   0.00785
AlI   0.25000   0.25000   0.00000   0.00785
AlII   0.00000   0.14300   0.25000   0.00785
FI   0.07700   0.38200   0.96500   0.00785
FII   0.18200   0.02100   0.28500   0.00785
O-HI   0.20100   0.26400   0.25700   0.00785
O-HII   0.02300   0.15000   0.99700   0.00785