# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'ThBC'
_chemical_formula_sum 'B C Th'

loop_
_publ_author_name
 'P. Rogl'
_journal_name_full_name
;
 Journal of Nuclear Materials
;
_journal_volume 73
_journal_year 1978
_journal_page_first 198
_journal_page_last 203
_publ_Section_title
;
 The crystal structure of ThBC
;

_aflow_title 'ThBC Structure'
_aflow_proto 'ABC_tP24_95_d_d_d'
_aflow_params 'a,c/a,x_{1},y_{1},z_{1},x_{2},y_{2},z_{2},x_{3},y_{3},z_{3}'
_aflow_params_values '3.7620082462,6.71079213192,0.303,0.202,-0.019,0.296,0.189,-0.08,0.2975,0.1983,0.8205'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'tP24'

_cell_length_a    3.7620082462
_cell_length_b    3.7620082462
_cell_length_c    25.2460553388
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "P 43 2 2"
_symmetry_Int_Tables_number 95
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x,-y,-z+1/2
3 -x,y,-z
4 -x,-y,z+1/2
5 -y,-x,-z+3/4
6 -y,x,z+3/4
7 y,-x,z+1/4
8 y,x,-z+1/4
 
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
B1  B    8 d 0.30300 0.20200 -0.01900 1.00000
C1  C    8 d 0.29600 0.18900 -0.08000 1.00000
Th1 Th   8 d 0.29750 0.19830 0.82050  1.00000
