data_global
_chemical_name_mineral 'Benavidesite'
loop_
_publ_author_name
'Leone P'
'Le Leuch L M'
'Palvadeau P'
'Molinie P'
'Moelo Y'
_journal_name_full 'Solid State Sciences'
_journal_volume 5 
_journal_year 2003
_journal_page_first 771
_journal_page_last 776
_publ_section_title
;
 Single crystal structures and magnetic properties of two iron or
 manganese-lead-antimony sulfides: MPb4Sb6S14 (M: Fe, Mn)
 Loclaity: synthetic
;
_database_code_amcsd 0015520
_chemical_formula_sum 'Pb4 Sb6 Mn S14'
_cell_length_a 4.0216
_cell_length_b 19.178
_cell_length_c 15.837
_cell_angle_alpha 90
_cell_angle_beta 91.89
_cell_angle_gamma 90
_cell_volume 1220.784
_exptl_crystal_density_diffrn      5.613
_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
Pb1   0.43530   0.23947   0.57327   0.02670
Pb2   0.46010   0.14075   0.81386   0.02940
Sb1   0.88160   0.04837   0.60328   0.02390
Sb2   0.90960   0.93673   0.81873   0.02400
Sb3   0.87590   0.15916   0.36946   0.02760
Mn   0.50000   0.00000   0.00000   0.02260
S1   0.44900   0.10140   0.49640   0.02200
S2   0.94300   0.15960   0.68170   0.02300
S3   0.97400   0.04530   0.90060   0.01700
S4   0.92000   0.26950   0.44990   0.02110
S5   0.46800   0.00310   0.71400   0.02700
S6   0.41200   0.29660   0.77500   0.02600
S7   0.51200   0.39280   0.58360   0.02220
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
Pb1 0.02210 0.02730 0.03040 -0.00130 -0.00120 0.00020
Pb2 0.01970 0.04210 0.02610 -0.00170 -0.00260 0.00540
Sb1 0.02820 0.02240 0.02110 0.00170 0.00030 0.00270
Sb2 0.02700 0.02350 0.02170 -0.00200 0.00480 -0.00400
Sb3 0.03620 0.02230 0.02330 0.00720 -0.01130 -0.00400
Mn 0.02400 0.02400 0.01900 -0.00100 -0.00300 -0.00500