data_global
_chemical_name_mineral 'Ransomite'
loop_
_publ_author_name
'Wood M M'
_journal_name_full 'American Mineralogist'
_journal_volume 55 
_journal_year 1970
_journal_page_first 729
_journal_page_last 734
_publ_section_title
;
 The crystal structure of ransomite
;
_database_code_amcsd 0000203
_chemical_compound_source 'United Verde mine, Jerome, Arizona, USA'
_chemical_formula_sum 'Cu Fe2 S4 O22 H12'
_cell_length_a 4.811
_cell_length_b 16.217
_cell_length_c 10.403
_cell_angle_alpha 90
_cell_angle_beta 93.02
_cell_angle_gamma 90
_cell_volume 810.515
_exptl_crystal_density_diffrn      2.735
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cu   0.00000   0.00000   0.00000   0.01684
Fe   0.73770   0.62720   0.02230   0.01026
S1   0.79060   0.28690   0.13990   0.01039
S2   0.25020   0.52980   0.17040   0.00760
O1   0.03090   0.21440   0.55490   0.01988
O2   0.58800   0.14700   0.59270   0.02052
O3   0.66870   0.29220   0.63220   0.02951
O4   0.89270   0.19060   0.77130   0.02596
O5   0.14270   0.45540   0.09990   0.01570
O6   0.07050   0.59990   0.14050   0.01583
O7   0.53400   0.54740   0.12670   0.01482
O8   0.27170   0.51280   0.30980   0.02001
Wat1   0.71500   0.06610   0.90720   0.01621
Wat2   0.35080   0.28140   0.85700   0.01494
Wat3   0.19370   0.10650   0.04830   0.03040