data_global
_chemical_name_mineral 'Telluronevskite'
loop_
_publ_author_name
'Ridkosil T'
'Skala R'
'Johan Z'
'Srein V'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 13 
_journal_year 2001
_journal_page_first 177
_journal_page_last 185
_publ_section_title
;
 Telluronevskite, Bi3TeSe2, a new mineral
;
_database_code_amcsd 0006856
_chemical_formula_sum 'Bi2.94 Te1.01 Se1.73 S.32'
_cell_length_a 4.264
_cell_length_b 4.264
_cell_length_c 23.25
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 366.090
_exptl_crystal_density_diffrn      8.075
_symmetry_space_group_name_H-M 'P -3 m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,-x,z'
  'y,-x+y,-z'
  '-x,-x+y,-z'
  '-x+y,-x,z'
  '-x+y,y,z'
  '-x,-y,-z'
  'y,x,-z'
  '-y,x-y,z'
  'x,x-y,z'
  'x-y,x,-z'
  'x-y,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Bi1   0.00000   0.00000   0.12650   0.98000   0.00684
Te1   0.00000   0.00000   0.12650   0.02000   0.00684
Bi2   0.33333   0.66667   0.29420   0.98000   0.00684
Te2   0.33333   0.66667   0.29420   0.02000   0.00684
Bi3   0.66667   0.33333   0.45890   0.98000   0.00684
Te3   0.66667   0.33333   0.45890   0.02000   0.00684
Te1   0.33333   0.66667   0.05660   0.95000   0.01748
Se1   0.33333   0.66667   0.05660   0.05000   0.01748
Se1   0.66667   0.33333   0.21570   0.84000   0.01748
S1   0.66667   0.33333   0.21570   0.16000   0.01748
Se2   0.00000   0.00000   0.36860   0.84000   0.01748
S2   0.00000   0.00000   0.36860   0.16000   0.01748