data_global
_chemical_name_mineral 'Rorisite'
loop_
_publ_author_name
'Liebich W'
'Nicollin D'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 33 
_journal_year 1977
_journal_page_first 2790
_journal_page_last 2794
_publ_section_title
;
 Refinement of the PbFCl types BaFI, BaFBr and CaFCl
 Note: matlockite structure
;
_database_code_amcsd 0009601
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ca Cl F'
_cell_length_a 3.894
_cell_length_b 3.894
_cell_length_c 6.818
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 103.383
_exptl_crystal_density_diffrn      3.037
_symmetry_space_group_name_H-M 'P 4/n m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-y,1/2-x,z'
  '1/2+y,1/2+x,-z'
  '1/2+y,-x,-z'
  '1/2-y,x,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2+x,1/2+y,-z'
  '1/2-x,1/2-y,z'
  'y,x,z'
  '-y,-x,-z'
  '-y,1/2+x,-z'
  'y,1/2-x,z'
  '1/2-x,y,z'
  '1/2+x,-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   0.25000   0.25000   0.19620   0.00340
Cl   0.25000   0.25000   0.64320   0.00700
F   0.75000   0.25000   0.00000   0.00340