LiCF.cif

data_image0
_cell_length_a       5.08471
_cell_length_b       2.54236
_cell_length_c       10.9198
_cell_angle_alpha    90
_cell_angle_beta     90
_cell_angle_gamma    120

_symmetry_space_group_name_H-M    "P 1"
_symmetry_int_tables_number       1

loop_
  _symmetry_equiv_pos_as_xyz
  'x, y, z'

loop_
  _atom_site_label
  _atom_site_occupancy
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_thermal_displace_type
  _atom_site_B_iso_or_equiv
  _atom_site_type_symbol
  C1       1.0000 0.00984  0.31507  0.00000  Biso   1.000  C
  C2       1.0000 0.17659  0.98174  0.00000  Biso   1.000  C
  F1       1.0000 0.03485  0.26402  0.40890  Biso   1.000  F
  F2       1.0000 0.53556  0.26431  0.55789  Biso   1.000  F
  Li1      1.0000 0.35252  0.08152  0.39348  Biso   1.000  Li
  Li2      1.0000 0.33430  0.56359  0.66749  Biso   1.000  Li
  C3       1.0000 0.50984  0.31497  0.00000  Biso   1.000  C
  C4       1.0000 0.67656  0.98163  0.00000  Biso   1.000  C
  F3       1.0000 0.03880  0.76828  0.68789  Biso   1.000  F
  F4       1.0000 0.53721  0.76674  0.27919  Biso   1.000  F
  Li3      1.0000 0.85333  0.08227  0.57349  Biso   1.000  Li
  Li4      1.0000 0.83327  0.56300  0.29920  Biso   1.000  Li