data_global
_chemical_name_mineral 'Vanadinite'
loop_
_publ_author_name
'Trotter J'
'Barnes W H'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 6 
_journal_year 1958
_journal_page_first 161
_journal_page_last 173
_publ_section_title
;
 The structure of vanadinite
;
_database_code_amcsd 0005076
_chemical_formula_sum 'Pb5 V3 Cl O12'
_cell_length_a 10.331
_cell_length_b 10.331
_cell_length_c 7.343
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 678.717
_exptl_crystal_density_diffrn      6.930
_symmetry_space_group_name_H-M 'P 63/m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x+y,-x,1/2-z'
  'x-y,x,1/2+z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  'x-y,x,-z'
  '-x+y,-x,z'
  '-y,x-y,1/2-z'
  'y,-x+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
Pb1   0.33333   0.66667   0.00540   0.01900
Pb2   0.25580   0.01070   0.25000   0.01900
V   0.40460   0.37870   0.25000   0.01900
Cl   0.00000   0.00000   0.00000   0.01900
O1   0.33090   0.50050   0.25000   0.03293
O2   0.60060   0.46040   0.25000   0.03293
O3   0.38120   0.28730   0.04630   0.03293