data_[Li3Cu2F8]
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 [P1]
_cell_length_a [5.5467]
_cell_length_b [5.8228]
_cell_length_c [6.0179]
_cell_angle_alpha [64.4101]
_cell_angle_beta [64.3760]
_cell_angle_gamma [85.7391]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li3Cu2F8]
_chemical_formula_sum '[Li3 Cu2 F8]'
_cell_volume [156.5342]
_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  1  0.1997  0.7202  0.3532  1.0
  Li  Li1  1  0.8217  0.3036  0.6381  1.0
  Li  Li2  1  0.8732  0.8325  0.1004  1.0
  Cu  Cu3  1  0.5012  0.2658  0.2423  1.0
  Cu  Cu4  1  0.5158  0.7631  0.7408  1.0
  F  F5  1  0.2115  0.3674  0.4755  1.0
  F  F6  1  0.2384  0.8541  0.9969  1.0
  F  F7  1  0.3309  0.8965  0.4762  1.0
  F  F8  1  0.3599  0.4018  0.9642  1.0
  F  F9  1  0.6800  0.1330  0.5054  1.0
  F  F10  1  0.6915  0.6367  0.0235  1.0
  F  F11  1  0.7711  0.1567  0.9995  1.0
  F  F12  1  0.8051  0.6686  0.4843  1.0
]