# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral ''
_chemical_formula_sum 'Cu Ti3'
 
loop_
_publ_author_name
 'N. Karlsson'
_journal_name_full
;
Journal of the Institute of Metals (London)
;
_journal_volume 79
_journal_year 1951
_journal_page_first 391
_journal_page_last 405
_publ_Section_title
;
 An X-ray study of the phases in the copper-titanium system
;

# Found in  http://materials.springer.com/isp/crystallographic/docs/sd_1250535

_aflow_proto 'AB3_tP4_123_a_ce' 
_aflow_params 'a,c/a' 
_aflow_params_values '4.158,0.864357864358' 
_aflow_Strukturbericht 'L6_0' 
_aflow_Pearson 'tP4' 

_symmetry_space_group_name_Hall "-P 4 2"
_symmetry_space_group_name_H-M "P 4/m m m"
_symmetry_Int_Tables_number 123

_cell_length_a    4.15800
_cell_length_b    4.15800
_cell_length_c    3.59400
_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,-y,-z
3 -x,y,-z
4 -x,-y,z
5 -y,-x,-z
6 -y,x,z
7 y,-x,z
8 y,x,-z
9 -x,-y,-z
10 -x,y,z
11 x,-y,z
12 x,y,-z
13 y,x,z
14 y,-x,-z
15 -y,x,-z
16 -y,-x,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   1 a 0.00000 0.00000 0.00000 1.00000
Ti1 Ti   1 c 0.50000 0.50000 0.00000 1.00000
Ti2 Ti   2 e 0.00000 0.50000 0.50000 1.00000
