# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Li2MoF6'
_chemical_formula_sum 'F6 Li2 Mo'

loop_
_publ_author_name
 'G. Brunton'
_journal_name_full_name
;
 Materials Research Bulletin
;
_journal_volume 6
_journal_year 1971
_journal_page_first 555
_journal_page_last 560
_publ_Section_title
;
 The crystal structure of Li$_{2}$MoF$_{6}$
;

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

_aflow_title 'Li$_{2}$MoF$_{6}$ Structure'
_aflow_proto 'A6B2C_tP18_94_eg_c_a'
_aflow_params 'a,c/a,z_{2},x_{3},x_{4},y_{4},z_{4}'
_aflow_params_values '4.6863209101,1.96124874637,0.6623,0.7093,0.684,0.707,0.6579'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'tP18'

_cell_length_a    4.6863209101
_cell_length_b    4.6863209101
_cell_length_c    9.1910410100
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "P 42 21 2"
_symmetry_Int_Tables_number 94
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x+1/2,-y+1/2,-z+1/2
3 -x+1/2,y+1/2,-z+1/2
4 -x,-y,z
5 -y,-x,-z
6 -y+1/2,x+1/2,z+1/2
7 y+1/2,-x+1/2,z+1/2
8 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
Mo1 Mo   2 a 0.00000 0.00000 0.00000 1.00000
Li1 Li   4 c 0.00000 0.00000 0.66230 1.00000
F1  F    4 e 0.70930 0.70930 0.00000 1.00000
F2  F    8 g 0.68400 0.70700 0.65790 1.00000
