# CIF file 
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral ''
_chemical_formula_sum 'Ba5 Si3'

loop_
_publ_author_name
 'R. Nesper'
 'F. Z{ü}rcher'
_journal_name_full_name
;
 Zeitschrift f{\"u}r Kristallographie - New Crystal Structures
;
_journal_volume 214
_journal_year 1999
_journal_page_first 20
_journal_page_last 20
_publ_Section_title
;
 Refinement of the crystal structure of pentabarium trisilicide, Ba$_{5}$Si$_{3}$
;

_aflow_title 'Ba$_{5}$Si$_{3}$ Structure'
_aflow_proto 'A5B3_tP32_130_cg_cf'
_aflow_params 'a,c/a,z_{1},z_{2},x_{3},x_{4},y_{4},z_{4}'
_aflow_params_values '8.465,1.94329592439,0.2271,0.0095,0.1482,0.57997,0.07997,0.10688'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'tP32'

_symmetry_space_group_name_H-M "P 4/n c c:2"
_symmetry_Int_Tables_number 130
 
_cell_length_a    8.46500
_cell_length_b    8.46500
_cell_length_c    16.45000
_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+1/2,-y,-z+1/2
3 -x,y+1/2,-z+1/2
4 -x+1/2,-y+1/2,z
5 -y,-x,-z+1/2
6 -y+1/2,x,z
7 y,-x+1/2,z
8 y+1/2,x+1/2,-z+1/2
9 -x,-y,-z
10 -x+1/2,y,z+1/2
11 x,-y+1/2,z+1/2
12 x+1/2,y+1/2,-z
13 y,x,z+1/2
14 y+1/2,-x,-z
15 -y,x+1/2,-z
16 -y+1/2,-x+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
Ba1 Ba   4 c 0.25000 0.25000 0.22710 1.00000
Si1 Si   4 c 0.25000 0.25000 0.00950 1.00000
Si2 Si   8 f 0.14820 0.85180 0.25000 1.00000
Ba2 Ba  16 g 0.57997 0.07997 0.10688 1.00000
