data_[Cu2F13]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9235]
_cell_length_b [6.2141]
_cell_length_c [7.3418]
_cell_angle_alpha [65.4365]
_cell_angle_beta [88.5847]
_cell_angle_gamma [74.1831]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cu2F13]
_chemical_formula_sum '[Cu2 F13]'
_cell_volume [195.5511]
_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
[
  Cu  Cu0  2  0.1380  0.8867  0.2752  1.0
  F  F1  2  0.0966  0.5881  0.3339  1.0
  F  F2  2  0.1762  0.1838  0.2164  1.0
  F  F3  2  0.2305  0.0176  0.6627  1.0
  F  F4  2  0.2744  0.7656  0.5551  1.0
  F  F5  2  0.3531  0.5305  0.9742  1.0
  F  F6  2  0.4919  0.7843  0.2191  1.0
  F  F7  1  0.0000  0.0000  0.0000  1.0
]