# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Ti2Ge3'
_chemical_formula_sum 'Ge3 Ti2'

loop_
_publ_author_name
 'K. Schubert'
 'H. G. Meissner'
 'M. P{ö}tzschke'
 'W. Rossteutscher'
 'E. Stolz'
_journal_name_full_name
;
 Naturwissenschaften
;
_journal_volume 49
_journal_year 1962
_journal_page_first 57
_journal_page_last 57
_publ_Section_title
;
 Einige Strukturdaten metallischer Phasen (7)
;

# Found in Pearson's Crystal Data - Crystal Structure Database for Inorganic Compounds, 2013

_aflow_title 'Ti$_{2}$Ge$_{3}$ Structure'
_aflow_proto 'A3B2_tP10_83_adk_j'
_aflow_params 'a,c/a,x_{3},y_{3},x_{4},y_{4}'
_aflow_params_values '6.2840064744,0.638128580522,0.375,0.191,0.109,0.314'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'tP10'

_cell_length_a    6.2840064744
_cell_length_b    6.2840064744
_cell_length_c    4.0100041315
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "P 4/m"
_symmetry_Int_Tables_number 83
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 -y,x,z
4 y,-x,z
5 -x,-y,-z
6 x,y,-z
7 y,-x,-z
8 -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
Ge1 Ge   1 a 0.00000 0.00000 0.00000 1.00000
Ge2 Ge   1 d 0.50000 0.50000 0.50000 1.00000
Ti1 Ti   4 j 0.37500 0.19100 0.00000 1.00000
Ge3 Ge   4 k 0.10900 0.31400 0.50000 1.00000
