# generated using pymatgen
data_LiCuF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02172001
_cell_length_b   5.20238215
_cell_length_c   7.84323874
_cell_angle_alpha   89.89490052
_cell_angle_beta   86.11675466
_cell_angle_gamma   89.72781320
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuF3
_chemical_formula_sum   'Li4 Cu4 F12'
_cell_volume   204.43090396
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.99626982  0.04734239  0.71685081  1
  Li  Li1  1  0.50030959  0.54589320  0.78376914  1
  Li  Li2  1  0.49969041  0.45410680  0.21623086  1
  Li  Li3  1  0.00373018  0.95265761  0.28314919  1
  Cu  Cu4  1  0.00000000  0.50000000  0.50000000  1
  Cu  Cu5  1  0.00000000  0.50000000  0.00000000  1
  Cu  Cu6  1  0.50000000  0.00000000  0.50000000  1
  Cu  Cu7  1  0.50000000  0.00000000  0.00000000  1
  F  F8  1  0.79463515  0.83827839  0.88195175  1
  F  F9  1  0.83245820  0.82362282  0.53797756  1
  F  F10  1  0.84133335  0.62649937  0.20867797  1
  F  F11  1  0.70614693  0.33828911  0.61845735  1
  F  F12  1  0.66775374  0.32303781  0.96324797  1
  F  F13  1  0.65945290  0.12667896  0.29161530  1
  F  F14  1  0.34054710  0.87332104  0.70838470  1
  F  F15  1  0.33224626  0.67696219  0.03675203  1
  F  F16  1  0.29385307  0.66171089  0.38154265  1
  F  F17  1  0.15866665  0.37350063  0.79132203  1
  F  F18  1  0.16754180  0.17637718  0.46202244  1
  F  F19  1  0.20536485  0.16172161  0.11804825  1
