data_[Cu4Cl2F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.4010]
_cell_length_b [3.8696]
_cell_length_c [5.4101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.9103]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cu2ClF]
_chemical_formula_sum '[Cu4 Cl2 F2]'
_cell_volume [133.5118]
_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  0.0666  0.5000  0.9947  1
  Cu  Cu1  2  0.3396  0.5000  0.3781  1
  Cl  Cl2  2  0.3634  0.5000  0.8116  1
  F  F3  2  0.3878  0.0000  0.2967  1
]