data_global
_chemical_name_mineral 'Tachyhydrite'
loop_
_publ_author_name
'Leclaire A'
'Borel M'
'Monier J'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 36 
_journal_year 1980
_journal_page_first 2734
_journal_page_last 2735
_publ_section_title
;
 Structure de la tachydrite
 _cod_database_code 1001774
;
_database_code_amcsd 0009719
_chemical_formula_sum 'Ca Cl6 Mg2 O12 H24'
_cell_length_a 8.215
_cell_length_b 8.215
_cell_length_c 8.215
_cell_angle_alpha 76.04
_cell_angle_beta 76.04
_cell_angle_gamma 76.04
_cell_volume 512.177
_exptl_crystal_density_diffrn      1.678
_symmetry_space_group_name_H-M 'R -3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-z,-x,-y'
  'y,z,x'
  '-x,-y,-z'
  'z,x,y'
  '-y,-z,-x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca1   0.00000   0.00000   0.00000
Cl1   0.27068   0.16138  -0.15443
Mg1   0.32405   0.32405   0.32405
O1  -0.48186   0.20142   0.45471
O2   0.44369   0.18449   0.13688
H1   0.50400   0.15500   0.54100
H2  -0.38600   0.19300   0.40100
H3   0.38800   0.17200   0.00610
H4   0.52500   0.10400   0.13700