data_global
_amcsd_formula_title 'KCaF(CO3)'
loop_
_publ_author_name
'Chen X L'
'He M'
'Xu Y P'
'Li H Q'
'Tu Q Y'
_journal_name_full 'Acta Crystallographica, Section E'
_journal_volume 60 
_journal_year 2004
_journal_page_first i50
_journal_page_last i51
_publ_section_title
;
 KCaF(CO3) from X-ray powder data
;
_database_code_amcsd 0010426
_chemical_formula_sum 'K Ca C O3 F'
_cell_length_a 5.10093
_cell_length_b 5.10093
_cell_length_c 4.45510
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 100.389
_exptl_crystal_density_diffrn      2.617
_symmetry_space_group_name_H-M 'P -6 m 2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,x-y,-z'
  '-x+y,-x,-z'
  '-y,-x,z'
  '-y,x-y,z'
  '-x+y,y,-z'
  'x,y,-z'
  'x,x-y,z'
  '-x+y,-x,z'
  '-y,-x,-z'
  '-y,x-y,-z'
  '-x+y,y,z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
K   0.00000   0.00000   0.00000   0.01260
Ca   0.33333   0.66667   0.50000   0.01000
C   0.66667   0.33333   0.50000   0.01800
O   0.81200   0.18800   0.50000   0.01290
F   0.33333   0.66667   0.00000   0.01960