# generated using pymatgen
data_LiCuF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43585286
_cell_length_b   5.43585286
_cell_length_c   5.43585173
_cell_angle_alpha   55.12123596
_cell_angle_beta   55.12123596
_cell_angle_gamma   55.12123193
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuF3
_chemical_formula_sum   'Li2 Cu2 F6'
_cell_volume   100.69027688
_cell_formula_units_Z   2
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  0.80554969  0.80554969  0.80554969  1
  Li  Li1  1  0.30554969  0.30554969  0.30554969  1
  Cu  Cu2  1  0.51023609  0.51023609  0.51023609  1
  Cu  Cu3  1  0.01023609  0.01023609  0.01023609  1
  F  F4  1  0.73272211  0.40982237  0.11113474  1
  F  F5  1  0.61113474  0.90982237  0.23272211  1
  F  F6  1  0.90982237  0.23272211  0.61113474  1
  F  F7  1  0.11113474  0.73272211  0.40982237  1
  F  F8  1  0.40982237  0.11113474  0.73272211  1
  F  F9  1  0.23272211  0.61113474  0.90982237  1
