# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'V2MoO8'
_chemical_formula_sum 'Mo O8 V2'

loop_
_publ_author_name
 'P. Mah{\\'e}-Pailleret'
_journal_year 1970
_publ_Section_title
;
 Contribution {à} l\'{\\'e}tude chimique et structurale des compos{\\'e}s AB$_{2}$O rencontr{\\'e}s dans les syst{è}mes Mo-VO, UVO et U-Mo-O
;

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

_aflow_title 'V$_{2}$MoO$_{8}$ Structure'
_aflow_proto 'AB8C2_oC22_35_a_ab3e_e'
_aflow_params 'a,b/a,c/a,z_{1},z_{2},z_{3},y_{4},z_{4},y_{5},z_{5},y_{6},z_{6},y_{7},z_{7}'
_aflow_params_values '4.534758023,1.1408839779,2.72580110498,0.0,0.5838,-0.042,0.189,0.5461,0.0961,0.122,0.2982,0.1399,0.1866,0.0038'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'oC22'

_cell_length_a    4.5347580230
_cell_length_b    5.1736327721
_cell_length_c    12.3608484299
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "C m m 2"
_symmetry_Int_Tables_number 35
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 -x,y,z
4 x,-y,z
5 x+1/2,y+1/2,z
6 -x+1/2,-y+1/2,z
7 -x+1/2,y+1/2,z
8 x+1/2,-y+1/2,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
O1  O    2 a 0.00000 0.00000 0.58380  1.00000
O2  O    2 b 0.00000 0.50000 -0.04200 1.00000
O3  O    4 e 0.00000 0.18900 0.54610  1.00000
O4  O    4 e 0.00000 0.09610 0.12200  1.00000
O5  O    4 e 0.00000 0.29820 0.13990  1.00000
V1  V    4 e 0.00000 0.18660 0.00380  1.00000
