data_Cu2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   3.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2F
_chemical_formula_sum   'Cu4 F2'
_cell_volume   78.97
_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  0.45  0.45  0.0  1.0
  Cu  Cu1  1  0.25  0.25  0.0  1.0
  Cu  Cu2  1  0.79  0.9  0.79  1.0
  Cu  Cu3  1  0.9  0.79  0.79  1.0
  F  F4  1  0.0  0.0  0.0  1.0
  F  F5  1  0.35  0.35  0.79  1.0

data_Cu2F
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.64
_cell_length_b   6.64
_cell_length_c   3.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cu2F
_chemical_formula_sum   'Cu8 F4'
_cell_volume   157.94
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.35  0.45  0.79  1.0
  Cu  Cu1  2  0.25  0.0  -0.0  1.0
  Cu  Cu2  2  0.45  0.0  -0.0  1.0
  F  F3  2  0.0  0.0  0.0  1.0
  F  F4  2  0.35  0.0  0.79  1.0

Cu Cu Cu Cu F F
Cu Cu Cu Cu F F 0 5 o o - 1 5 o o - 2 3 o o o 2 4 + + + 3 4 + + + 