# generated using pymatgen
data_Li2CuF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04966430
_cell_length_b   5.04966430
_cell_length_c   3.12649500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   107.10462447
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuF4
_chemical_formula_sum   'Li2 Cu1 F4'
_cell_volume   76.19663991
_cell_formula_units_Z   1
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  0.50000000  0.00000000  0.50000000  1
  Li  Li1  1  0.00000000  0.50000000  0.50000000  1
  Cu  Cu2  1  0.00000000  0.00000000  0.00000000  1
  F  F3  1  0.76354300  0.23645700  0.00000000  1
  F  F4  1  0.23069400  0.23069400  0.50000000  1
  F  F5  1  0.76930600  0.76930600  0.50000000  1
  F  F6  1  0.23645700  0.76354300  0.00000000  1
