
#======================================================================
# CRYSTAL DATA
#----------------------------------------------------------------------
data_VESTA_phase_1

_chemical_name_common                  'Lithium '
_cell_length_a                         5.15519(18)
_cell_length_b                         5.1778(4)
_cell_length_c                         8.9574(4)
_cell_angle_alpha                      90.000000
_cell_angle_beta                       90.000000
_cell_angle_gamma                      109.716(4)
_cell_volume                           225.079131
_space_group_name_H-M_alt              'A 2/m'
_space_group_IT_number                 12

loop_
_space_group_symop_operation_xyz
   'x, y, z'
   '-x, -y, -z'
   '-x, -y, z'
   'x, y, -z'
   'x, y+1/2, z+1/2'
   '-x, -y+1/2, -z+1/2'
   '-x, -y+1/2, z+1/2'
   'x, y+1/2, -z+1/2'

loop_
   _atom_site_label
   _atom_site_occupancy
   _atom_site_fract_x
   _atom_site_fract_y
   _atom_site_fract_z
   _atom_site_adp_type
   _atom_site_U_iso_or_equiv
   _atom_site_type_symbol
   Sb1        1.0     0.000000     0.000000     0.000000    Uiso  0.100000 Sb
   Ni2        1.0     0.000000     0.000000     0.3343(7)   Uiso  ? Ni
   Li3        1.0     0.500000     0.000000     0.154(6)    Uiso  ? Li
   Li4        1.0     0.500000     0.000000     0.500000    Uiso  ? Li
   O5         1.0     0.239(3)     0.757(4)     0.000000    Uiso  ? O
   O6         1.0     0.238(2)     0.254(4)     0.1668(16)  Uiso  0.100000 O
