# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Ta2H'
_chemical_formula_sum 'H Ta2'

loop_
_publ_author_name
 'H. Asano'
 'Y. Ishikawa'
 'M. Hirabayashi'
_journal_name_full_name
;
 Journal of Applied Crystallography
;
_journal_volume 11
_journal_year 1978
_journal_page_first 681
_journal_page_last 683
_publ_Section_title
;
 Single-crystal X-ray diffraction study on the hydrogen ordering in Ta$_{2}$H
;

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

_aflow_title 'Ta$_{2}$H Structure'
_aflow_proto 'AB2_oC6_21_a_k'
_aflow_params 'a,b/a,c/a,z_{2}'
_aflow_params_values '3.3982513,1.3943496174,1.40170688639,0.268'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'oC6'

_cell_length_a    3.3982513000
_cell_length_b    4.7383504000
_cell_length_c    4.7633522489
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "C 2 2 2"
_symmetry_Int_Tables_number 21
 
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+1/2,y+1/2,z
6 x+1/2,-y+1/2,-z
7 -x+1/2,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
H1  H    2 a 0.00000 0.00000 0.00000 1.00000
Ta1 Ta   4 k 0.25000 0.25000 0.26800 1.00000
