# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Vulcanite'
_chemical_formula_sum 'Cu Te'
 
loop_
_publ_author_name
 'Eugene N. Cameron'
 'Ian M. Threadgold'
_journal_name_full
;
American Mineralogist
;
_journal_volume 46
_journal_year 1961
_journal_page_first 258
_journal_page_last 268
_publ_Section_title
;
 Vulcanite, a new copper telluride from Colorado, with notes on certain associated minerals
;

# Found in  AMS Database

_aflow_proto 'AB_oP4_59_a_b' 
_aflow_params 'a,b/a,c/a,z1,z2' 
_aflow_params_values '3.15,1.29841269841,2.20634920635,0.051,0.277' 
_aflow_Strukturbericht 'None' 
_aflow_Pearson 'oP4' 

_symmetry_space_group_name_Hall "-P 2ab 2a"
_symmetry_space_group_name_H-M "P m m n:2"
_symmetry_Int_Tables_number 59

_cell_length_a    3.15000
_cell_length_b    4.09000
_cell_length_c    6.95000
_cell_angle_alpha 90.00000
_cell_angle_beta  90.00000
_cell_angle_gamma 90.00000
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x+1/2,-y,-z
3 -x,y+1/2,-z
4 -x+1/2,-y+1/2,z
5 -x,-y,-z
6 -x+1/2,y,z
7 x,-y+1/2,z
8 x+1/2,y+1/2,-z
 
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1 Cu   2 a 0.25000 0.25000 0.05100 1.00000
Te1 Te   2 b 0.25000 0.75000 0.27700 1.00000
