# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'H-Phase'
_chemical_formula_sum 'Al C Cr2'
 
loop_
_publ_author_name
 'W. Jeitschko'
 'H. Nowotny'
 'F. Benesovsky'
_journal_name_full
;
Monatshefte f\"{u}r Chemie und verwandte Teile anderer Wissenschaften
;
_journal_volume 94
_journal_year 1963
_journal_page_first 672
_journal_page_last 676
_publ_Section_title
;
 Kohlenstoffhaltige tern\"{a}re Verbindungen (H-Phase)
;

# Found in  Pearson's Handbook, Vol. I, pp. 677

_aflow_proto 'ABC2_hP8_194_d_a_f' 
_aflow_params 'a,c/a,z3' 
_aflow_params_values '2.86,4.48251748252,0.086' 
_aflow_Strukturbericht 'None' 
_aflow_Pearson 'hP8' 

_symmetry_space_group_name_Hall "-P 6c 2c"
_symmetry_space_group_name_H-M "P 63/m m c"
_symmetry_Int_Tables_number 194

_cell_length_a    2.86000
_cell_length_b    2.86000
_cell_length_c    12.82000
_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 x-y,x,z+1/2
3 -y,x-y,z
4 -x,-y,z+1/2
5 -x+y,-x,z
6 y,-x+y,z+1/2
7 x-y,-y,-z
8 x,x-y,-z+1/2
9 y,x,-z
10 -x+y,y,-z+1/2
11 -x,-x+y,-z
12 -y,-x,-z+1/2
13 -x,-y,-z
14 -x+y,-x,-z+1/2
15 y,-x+y,-z
16 x,y,-z+1/2
17 x-y,x,-z
18 -y,x-y,-z+1/2
19 -x+y,y,z
20 -x,-x+y,z+1/2
21 -y,-x,z
22 x-y,-y,z+1/2
23 x,x-y,z
24 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
C1  C    2 a 0.00000 0.00000 0.00000 1.00000
Al1 Al   2 d 0.33333 0.66667 0.75000 1.00000
Cr1 Cr   4 f 0.33333 0.66667 0.08600 1.00000
