data_global
_chemical_name_mineral 'Ghiaraite'
loop_
_publ_author_name
'Thewalt U'
'Bugg C E'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 29 
_journal_year 1973
_journal_page_first 615
_journal_page_last 617
_publ_section_title
;
 Crystal structure of calcium chloride tetrahydrate
;
_database_code_amcsd 0020228
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ca Cl2 O4'
_cell_length_a 6.593
_cell_length_b 6.364
_cell_length_c 8.557
_cell_angle_alpha 97.77
_cell_angle_beta 93.52
_cell_angle_gamma 110.56
_cell_volume 330.776
_exptl_crystal_density_diffrn      1.757
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca   0.11880  -0.01400   0.26150
Cl1   0.29100  -0.27770   0.05040
Cl2  -0.24950  -0.23930   0.41300
O1  -0.18230  -0.18710   0.04340
O2  -0.01520   0.28950   0.27150
O3   0.47880   0.24090   0.26630
O4   0.24930  -0.25090   0.41540
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ca 0.02323 0.01836 0.02981 0.00182 0.00105 -0.00351
Cl1 0.02818 0.02238 0.02370 0.00493 0.00418 -0.00050
Cl2 0.02399 0.02220 0.02658 -0.00274 0.00209 -0.00251
O1 0.02685 0.02342 0.03915 0.00146 0.00261 -0.00551
O2 0.03446 0.02238 0.03268 0.00784 -0.00183 0.00175
O3 0.03256 0.02884 0.02837 -0.00438 0.00837 -0.00601
O4 0.03503 0.02692 0.02909 0.01040 0.00105 -0.00226