# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'BaGe2As2'
_chemical_formula_sum 'As2 Ba Ge2'

loop_
_publ_author_name
 'B. Eisenmann'
 'H. Sch{ä}fer'
_journal_name_full_name
;
 Zeitschrift f{\"u}r Naturforschung B
;
_journal_volume 36
_journal_year 1981
_journal_page_first 415
_journal_page_last 419
_publ_Section_title
;
 Zintlphasen mit bin{ä}ren Anionen: Zur Kenntnis von BaGe$_{2}$P$_{2}$ und BaGe$_{2}$As$_{2}$ / Zintl Phases with Binary Anions: BaGe$_{2}$P$_{2}$ and BaGe$_{2}$As$_{2}$
;

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

_aflow_title 'BaGe$_{2}$As$_{2}$ Structure'
_aflow_proto 'A2BC2_tP20_105_f_ac_2e'
_aflow_params 'a,c/a,z_{1},z_{2},x_{3},z_{3},x_{4},z_{4},x_{5},y_{5},z_{5}'
_aflow_params_values '7.7858653925,1.11276650398,0.0,0.0241,0.3351,0.3664,0.1632,0.6068,0.3453,0.229,0.2558'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'tP20'

_cell_length_a    7.7858653925
_cell_length_b    7.7858653925
_cell_length_c    8.6638502133
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "P 42 m c"
_symmetry_Int_Tables_number 105
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 -y,x,z+1/2
4 y,-x,z+1/2
5 -x,y,z
6 x,-y,z
7 y,x,z+1/2
8 -y,-x,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   2 a 0.00000 0.00000 0.00000 1.00000
Ba2 Ba   2 c 0.00000 0.50000 0.02410 1.00000
Ge1 Ge   4 e 0.33510 0.50000 0.36640 1.00000
Ge2 Ge   4 e 0.16320 0.50000 0.60680 1.00000
As1 As   8 f 0.34530 0.22900 0.25580 1.00000
