# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Ta3B4'
_chemical_formula_sum 'B4 Ta3'

loop_
_publ_author_name
 'R. Kiessling'
_journal_name_full_name
;
 Acta Chemica Scandinavica
;
_journal_volume 3
_journal_year 1949
_journal_page_first 603
_journal_page_last 615
_publ_Section_title
;
 The Borides of Tantalum
;

# Found in Transition-metal borides with the tantalum boride (Ta$_{3}$B$_{4}$) crystal structure: their electronic and bonding properties, 1991

_aflow_title 'Ta$_{3}$B$_{4}$ ($D7_{b}$) Structure'
_aflow_proto 'A4B3_oI14_71_gh_cg'
_aflow_params 'a,b/a,c/a,y_{2},y_{3},y_{4}'
_aflow_params_values '3.29,4.25531914894,0.951367781155,0.375,0.18,0.444'
_aflow_Strukturbericht '$D7_{b}$'
_aflow_Pearson 'oI14'

_symmetry_space_group_name_H-M "I 2/m 2/m 2/m"
_symmetry_Int_Tables_number 71
 
_cell_length_a    3.29000
_cell_length_b    14.00000
_cell_length_c    3.13000
_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 -x,-y,-z
6 -x,y,z
7 x,-y,z
8 x,y,-z
9 x+1/2,y+1/2,z+1/2
10 x+1/2,-y+1/2,-z+1/2
11 -x+1/2,y+1/2,-z+1/2
12 -x+1/2,-y+1/2,z+1/2
13 -x+1/2,-y+1/2,-z+1/2
14 -x+1/2,y+1/2,z+1/2
15 x+1/2,-y+1/2,z+1/2
16 x+1/2,y+1/2,-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   2 c 0.50000 0.50000 0.00000  1.00000
B1  B    4 g 0.00000 0.37500 0.00000  1.00000
Ta2 Ta   4 g 0.00000 0.18000 0.00000  1.00000
B2  B    4 h 0.00000 0.44400 0.50000  1.00000
