# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral ''
_chemical_formula_sum 'Ba Pt Sb'
 
loop_
_publ_author_name
 'G. Wenski'
 'A. Mewis'
_journal_name_full
;
Zeitschrift f\"{u}r anorganische und allgemeine Chemie
;
_journal_volume 535
_journal_year 1986
_journal_page_first 110
_journal_page_last 122
_publ_Section_title
;
 Trigonal-planar koordiniertes Platin: Darstellung und Struktur von SrPtAs (Sb), BaPtP (As, Sb), SrPt$_x$P$_{2-x}$, SrPt$_x$As$_{0.90}$ und BaPt$_x$As$_{0.90}$
;

# Found in  http://materials.springer.com/isp/crystallographic/docs/sd_2080134

_aflow_proto 'ABC_hP3_187_a_d_f' 
_aflow_params 'a,c/a' 
_aflow_params_values '4.535,1.0769570011' 
_aflow_Strukturbericht 'None' 
_aflow_Pearson 'hP3' 

_symmetry_space_group_name_Hall "P -6 2"
_symmetry_space_group_name_H-M "P -6 m 2"
_symmetry_Int_Tables_number 187

_cell_length_a    4.53500
_cell_length_b    4.53500
_cell_length_c    4.88400
_cell_angle_alpha 90.00000
_cell_angle_beta  90.00000
_cell_angle_gamma 120.00000
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -y,x-y,z
3 -x+y,-x,z
4 x,x-y,-z
5 -x+y,y,-z
6 -y,-x,-z
7 -x+y,-x,-z
8 x,y,-z
9 -y,x-y,-z
10 -x+y,y,z
11 -y,-x,z
12 x,x-y,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
Ba1 Ba   1 a 0.00000 0.00000 0.00000 1.00000
Pt1 Pt   1 d 0.33333 0.66667 0.50000 1.00000
Sb1 Sb   1 f 0.66667 0.33333 0.50000 1.00000
