data_[Li4Cu2F8]
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 [C2/m]
_cell_length_a [10.6887]
_cell_length_b [3.0821]
_cell_length_c [4.9894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.0404]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2CuF4]
_chemical_formula_sum '[Li4 Cu2 F8]'
_cell_volume [146.4012]
_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
[
  Li  Li0  4  0.2042  0.5000  0.7199  1
  Cu  Cu1  2  0.0000  0.0000  0.0000  1
  F  F2  4  0.1287  0.0000  0.8342  1
  F  F3  4  0.1323  0.5000  0.2910  1
]