data_global
_chemical_name_mineral 'Calcite'
loop_
_publ_author_name
'Wyckoff R'
_journal_name_full 'American Journal of Science'
_journal_volume 50 
_journal_year 1920
_journal_page_first 317
_journal_page_last 360
_publ_section_title
;
 The Crystal Structures of some Carbonates of the Calcite Group
 _cod_database_code 1010962
;
_database_code_amcsd 0017889
_chemical_formula_sum 'Ca C O3'
_cell_length_a 6.36
_cell_length_b 6.36
_cell_length_c 6.36
_cell_angle_alpha 46.1
_cell_angle_beta 46.1
_cell_angle_gamma 46.1
_cell_volume 121.857
_exptl_crystal_density_diffrn      2.728
_symmetry_space_group_name_H-M 'R 3 c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+z,1/2+y'
  'z,x,y'
  '1/2+y,1/2+x,1/2+z'
  'y,z,x'
  '1/2+z,1/2+y,1/2+x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca1   0.25000   0.25000   0.25000
C1   0.00000   0.00000   0.00000
O1   0.25000  -0.25000   0.00000