# generated using pymatgen
data_CuF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29142139
_cell_length_b   4.52331826
_cell_length_c   4.61285349
_cell_angle_alpha   89.99989676
_cell_angle_beta   97.48535870
_cell_angle_gamma   90.00012672
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuF2
_chemical_formula_sum   'Cu2 F4'
_cell_volume   68.09158711
_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
  Cu  Cu0  1  0.49999491  0.49999074  0.49999890  1.0
  Cu  Cu1  1  -0.00000509  0.00000926  -0.00000110  1.0
  F  F2  1  0.46931020  0.79921222  0.20688625  1.0
  F  F3  1  0.03069489  0.29922070  0.29311685  1.0
  F  F4  1  0.96931020  0.70078678  0.70688425  1.0
  F  F5  1  0.53069589  0.20078030  0.79311485  1.0