data_[Cu2H8O4F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4165]
_cell_length_b [7.3498]
_cell_length_c [3.3380]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6585]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CuH4(OF)2]
_chemical_formula_sum '[Cu2 H8 O4 F4]'
_cell_volume [170.2552]
_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  2  0.0000  0.0000  0.0000  1.0
  H  H1  8  0.1161  0.3398  0.0658  1.0
  O  O2  4  0.0000  0.2615  0.0000  1.0
  F  F3  4  0.2240  0.0000  0.8230  1.0
]