data_[Li2Cu1F5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [3.0518]
_cell_length_b [5.3973]
_cell_length_c [5.8259]
_cell_angle_alpha [91.3642]
_cell_angle_beta [100.9024]
_cell_angle_gamma [101.6322]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2CuF5]
_chemical_formula_sum '[Li2 Cu1 F5]'
_cell_volume [92.1034]
_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
[
  Li  Li0  2  0.3873  0.7745  0.9307  1.0
  Cu  Cu1  1  0.5000  0.5000  0.5000  1.0
  F  F2  2  0.2497  0.7576  0.5668  1.0
  F  F3  2  0.3442  0.5265  0.1906  1.0
  F  F4  1  0.0000  0.0000  0.0000  1.0
]