# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'TaNiTe2'
_chemical_formula_sum 'Ni Ta Te2'

loop_
_publ_author_name
 'W. Tremel'
_journal_name_full_name
;
 Angewandte Chemie (International ed.)
;
_journal_volume 30
_journal_year 1991
_journal_page_first 840
_journal_page_last 843
_publ_Section_title
;
 Isolated and Condensed Ta$_{2}$Ni$_{2}$ Clusters in the Layered Tellurides Ta$_{2}$Ni$_{2}$Te$_{4}$ and Ta$_{2}$Ni$_{3}$Te$_{5}$
;

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

_aflow_title 'TaNiTe$_{2}$ Structure'
_aflow_proto 'ABC2_oP16_53_h_e_gh'
_aflow_params 'a,b/a,c/a,x_{1},y_{2},y_{3},z_{3},y_{4},z_{4}'
_aflow_params_values '11.6904618594,0.282132455361,0.78890717994,0.79514,0.3193,0.1198,0.3549,0.224,0.7493'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'oP16'

_cell_length_a    11.6904618594
_cell_length_b    3.2982587087
_cell_length_c    9.2226892977
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "P 2/m 2/n 21/a"
_symmetry_Int_Tables_number 53
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x,-y,-z
3 -x+1/2,y,-z+1/2
4 -x+1/2,-y,z+1/2
5 -x,-y,-z
6 -x,y,z
7 x+1/2,-y,z+1/2
8 x+1/2,y,-z+1/2
 
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
Ta1 Ta   4 e 0.79514 0.00000 0.00000 1.00000
Te1 Te   4 g 0.25000 0.31930 0.25000 1.00000
Ni1 Ni   4 h 0.00000 0.11980 0.35490 1.00000
Te2 Te   4 h 0.00000 0.22400 0.74930 1.00000
