# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'beta Cu3Ti'
_chemical_formula_sum 'Ti Cu3'
 
loop_
_publ_author_name
 'N. Karlsson'
_journal_name_full
;
Journal of the Institute of Metals
;
_journal_volume 79
_journal_year 1951
_journal_page_first 391
_journal_page_last 391
_publ_Section_title
;
 ~
;

# Found in  Pearson Alloys, p. 329-331

_aflow_proto 'A3B_oP8_59_bf_a' 
_aflow_params 'a,b/a,c/a,z1,z2,x3,z3' 
_aflow_params_values '5.162,0.842115459124,0.877760557923,0.67125,0.329,0.505,0.174' 
_aflow_Strukturbericht 'D0_a' 
_aflow_Pearson 'oP8' 

_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    5.16200
_cell_length_b    4.34700
_cell_length_c    4.53100
_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
Ti1 Ti   2 a 0.25000 0.25000 0.67125 1.00000
Cu1 Cu   2 b 0.25000 0.75000 0.32900 1.00000
Cu2 Cu   4 f 0.50500 0.25000 0.17400 1.00000
