# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Mn5Si3'
_chemical_formula_sum 'Mn5 Si3'

loop_
_publ_author_name
 'B. Aronsson'
_journal_name_full_name
;
 Acta Chemica Scandinavica
;
_journal_volume 14
_journal_year 1960
_journal_page_first 1414
_journal_page_last 1418
_publ_Section_title
;
 A note on the compositions and crystal structures of MnB$_{2}$, Mn$_{3}$Si, Mn$_{5}$Si$_{3}$, and FeSi$_{2}$
;

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

_aflow_title 'Mavlyanovite (Mn$_{5}$Si$_{3}$, $D8_{8}$) Structure'
_aflow_proto 'A5B3_hP16_193_dg_g'
_aflow_params 'a,c/a,x_{2},x_{3}'
_aflow_params_values '6.9104160691,0.696671490596,0.2358,0.5992'
_aflow_Strukturbericht '$D8_{8}$'
_aflow_Pearson 'hP16'

_cell_length_a    6.9104160691
_cell_length_b    6.9104160691
_cell_length_c    4.8142898635
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 120.0000000000

_aflow_Strukturbericht '$D8_{8}$'
 
_symmetry_space_group_name_H-M "P 63/m 2/c 2/m"
_symmetry_Int_Tables_number 193
 
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+1/2
8 x,x-y,-z
9 y,x,-z+1/2
10 -x+y,y,-z
11 -x,-x+y,-z+1/2
12 -y,-x,-z
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+1/2
20 -x,-x+y,z
21 -y,-x,z+1/2
22 x-y,-y,z
23 x,x-y,z+1/2
24 y,x,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
Mn1 Mn   4 d 0.33333 0.66667 0.00000 1.00000
Mn2 Mn   6 g 0.23580 0.00000 0.25000 1.00000
Si1 Si   6 g 0.59920 0.00000 0.25000 1.00000
