# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'beta'
_chemical_formula_sum 'Mn'
 
loop_
_publ_author_name
 'Clara Brink Shoemaker'
 'David P. Shoemaker'
 'Ted E. Hopkins'
 'Somrat Yindepit'
_journal_name_full
;
Acta Crystallographica B
;
_journal_volume 34
_journal_year 1978
_journal_page_first 3573
_journal_page_last 3576
_publ_Section_title
;
 Refinement of the structure of $β$-manganese and of a related phase in the Mn-Ni-Si system
;

_aflow_proto 'A_cP20_213_cd' 
_aflow_params 'a,x1,y2' 
_aflow_params_values '6.315,0.06361,0.20224' 
_aflow_Strukturbericht 'A13' 
_aflow_Pearson 'cP20' 

_symmetry_space_group_name_Hall "P 4bd 2ab 3 P4_132"
_symmetry_space_group_name_H-M "P 41 3 2"
_symmetry_Int_Tables_number 213

_cell_length_a    6.31500
_cell_length_b    6.31500
_cell_length_c    6.31500
_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+1/2,-z
3 -x,y+1/2,-z+1/2
4 -x+1/2,-y,z+1/2
5 y,z,x
6 y+1/2,-z+1/2,-x
7 -y,z+1/2,-x+1/2
8 -y+1/2,-z,x+1/2
9 z,x,y
10 z+1/2,-x+1/2,-y
11 -z,x+1/2,-y+1/2
12 -z+1/2,-x,y+1/2
13 -y+3/4,-x+3/4,-z+3/4
14 -y+1/4,x+3/4,z+1/4
15 y+1/4,-x+1/4,z+3/4
16 y+3/4,x+1/4,-z+1/4
17 -x+3/4,-z+3/4,-y+3/4
18 -x+1/4,z+3/4,y+1/4
19 x+1/4,-z+1/4,y+3/4
20 x+3/4,z+1/4,-y+1/4
21 -z+3/4,-y+3/4,-x+3/4
22 -z+1/4,y+3/4,x+1/4
23 z+1/4,-y+1/4,x+3/4
24 z+3/4,y+1/4,-x+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
Mn1 Mn   8 c 0.06361 0.06361 0.06361 1.00000
Mn2 Mn  12 d 0.12500 0.20224 0.45224 1.00000
