data_global
_amcsd_formula_title 'Ca Cl H4 N O5'
loop_
_publ_author_name
'Leclaire A'
'Borel M'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 34 
_journal_year 1978
_journal_page_first 902
_journal_page_last 904
_publ_section_title
;
 Identification et structure du chlorure nitrate de calcium dihydrate
 _cod_database_code 1001019
;
_database_code_amcsd 0009627
_chemical_formula_sum 'Ca Cl O5 N H4'
_cell_length_a 9.052
_cell_length_b 6.676
_cell_length_c 19.797
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1196.356
_exptl_crystal_density_diffrn      1.927
_symmetry_space_group_name_H-M 'P b c a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca1  -0.44610   0.45016   0.15445
Cl1  -0.54426   0.77308   0.08206
O1  -0.47087   0.17955   0.24714
O2  -0.29772  -0.02586   0.27703
O3  -0.27803   0.14700   0.18346
N1  -0.34741   0.09732   0.23653
O4  -0.60756   0.23829   0.09759
O5  -0.30172   0.39700   0.05623
H1  -0.70010   0.25560   0.09800
H2  -0.58750   0.12030   0.08900
H3  -0.21240   0.35190   0.05430
H4  -0.34970   0.37270   0.01990