data_global
_chemical_name_mineral 'Colquiriite'
loop_
_publ_author_name
'Viebahn W'
_journal_name_full 'Zeitschrift fur Anorganische und Allgemeine Chemie'
_journal_volume 386 
_journal_year 1971
_journal_page_first 335
_journal_page_last 339
_publ_section_title
;
 Untersuchungen an quaternaren fluoriden LiMeIIMeIIIF6 die struktur von LiCaAlF6
;
_database_code_amcsd 0015777
_chemical_formula_sum 'Ca Li Al F6'
_cell_length_a 4.996
_cell_length_b 4.996
_cell_length_c 9.636
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 208.292
_exptl_crystal_density_diffrn      2.997
_symmetry_space_group_name_H-M 'P -3 1 c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x-y,-y,1/2+z'
  'y,-x+y,-z'
  '-y,-x,1/2-z'
  '-x+y,-x,z'
  '-x,-x+y,1/2+z'
  '-x,-y,-z'
  '-x+y,y,1/2-z'
  '-y,x-y,z'
  'y,x,1/2+z'
  'x-y,x,-z'
  'x,x-y,1/2-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   0.00000   0.00000   0.00503
Li   0.33333   0.66667   0.25000   0.01267
Al   0.66667   0.33333   0.25000   0.00900
F   0.37550   0.03190   0.14380   0.01488