# CIF template
data_nolabel
loop_
_publ_author_name
'B L Ellis'
'T N Ramesh'
'L J M Davis'
'G R Goward'
'L F Nazar'
_publ_section_title
;
 Structure and Electrochemistry of Two-Electron Redox Couples
 in Lithium Metal Fluorophosphates Based on the Tavorite Structure
;
_journal_name_full               'Chem Mater'
_journal_volume                  23
_journal_page_first              5138
_journal_year                    2011
_journal_paper_doi               10.1021/cm201773n
_chemical_formula_sum            LiVPO4F
_chemical_name_common            'write name here'
_cell_length_a                   5.30941(1)
_cell_length_b                   7.49936(2)
_cell_length_c                   5.16888(1)
_cell_angle_alpha                112.933
_cell_angle_beta                 81.664
_cell_angle_gamma                113.125
_cell_formula_units_Z            2      # useful but optional 
_symmetry_space_group_name_H-M   'P-1'
_space_group_IT_number           2      # optional
_diffrn_ambient_temperature      300    # K
_diffrn_ambient_pressure         100    # kPa (as defined by IUCr) but other units can be used in practice e.g. atm (100kPa)
loop_
_symmetry_equiv_pos_as_xyz              # needed only for nonstandard settings
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
_atom_site_description
Li1  Li  2i  .389(2)   .334(1)   .659(2)   .18   2.2  01
Li2  Li  2i  .373(2)   .236(1)   .517(2)   .82   2.2  02
V1   V   1a   0         0         0        1     1.2  03
V2   V   1b   0        .5        .5        1     1.2  04
P1   P   2i  .3524(2)  .7485(2)  .0719(2)  1     1.2  05
O1   O   2i  .2109(4)  .9064(3)  .1701(4)  1     1.2  06
O2   O   2i  .6580(4)  .8625(3)  .1705(4)  1     1.2  07
O3   O   2i  .2373(4)  .5900(3)  .2163(4)  1     1.2  08
O4   O   2i  .3305(4)  .6403(3)  .7497(4)  1     1.2  09
F1   F   2i  .0875(3)  .2450(2)  .3585(4)  1     1.2  10
