# generated using pymatgen
data_Li2CuF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65893433
_cell_length_b   5.65893433
_cell_length_c   5.65893433
_cell_angle_alpha   112.19187429
_cell_angle_beta   112.19187429
_cell_angle_gamma   104.15707636
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuF4
_chemical_formula_sum   'Li4 Cu2 F8'
_cell_volume   138.61367752
_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  0.37500000  0.12500000  0.75000000  1
  Li  Li1  1  0.87500000  0.62500000  0.25000000  1
  Li  Li2  1  0.37500000  0.62500000  0.25000000  1
  Li  Li3  1  0.37500000  0.62500000  0.75000000  1
  Cu  Cu4  1  0.75000000  0.25000000  0.50000000  1
  Cu  Cu5  1  0.00000000  0.00000000  0.00000000  1
  F  F6  1  0.13143400  0.33955700  0.79187800  1
  F  F7  1  0.66044300  0.45232100  0.79187800  1
  F  F8  1  0.54767900  0.33955700  0.20812200  1
  F  F9  1  0.66044300  0.86856600  0.20812200  1
  F  F10  1  0.08955700  0.38143400  0.29187800  1
  F  F11  1  0.20232100  0.91044300  0.29187800  1
  F  F12  1  0.08955700  0.79767900  0.70812200  1
  F  F13  1  0.61856600  0.91044300  0.70812200  1
