data_[Li4Cu4F12]
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 [4.9993]
_cell_length_b [5.2645]
_cell_length_c [8.6006]
_cell_angle_alpha [89.9662]
_cell_angle_beta [89.7343]
_cell_angle_gamma [89.9756]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiCuF3]
_chemical_formula_sum '[Li4 Cu4 F12]'
_cell_volume [226.3566]
_cell_formula_units_Z [4]
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  0.4916  0.5163  0.8322  1.0
  Li  Li1  1  0.4985  0.9980  0.3122  1.0
  Li  Li2  1  0.9962  0.4973  0.8017  1.0
  Li  Li3  1  0.9999  0.0028  0.3308  1.0
  Cu  Cu4  1  0.0013  0.9989  0.6515  1.0
  Cu  Cu5  1  0.0017  0.9995  0.0048  1.0
  Cu  Cu6  1  0.5010  0.4986  0.5040  1.0
  Cu  Cu7  1  0.5015  0.4981  0.1513  1.0
  F  F8  1  0.1823  0.8206  0.8272  1.0
  F  F9  1  0.2219  0.8552  0.4904  1.0
  F  F10  1  0.2224  0.8603  0.1670  1.0
  F  F11  1  0.2782  0.3586  0.6663  1.0
  F  F12  1  0.2825  0.3515  0.9918  1.0
  F  F13  1  0.3185  0.3243  0.3285  1.0
  F  F14  1  0.6819  0.6741  0.3282  1.0
  F  F15  1  0.7197  0.6490  0.9915  1.0
  F  F16  1  0.7223  0.6407  0.6656  1.0
  F  F17  1  0.7767  0.1397  0.1674  1.0
  F  F18  1  0.7796  0.1447  0.4922  1.0
  F  F19  1  0.8222  0.1721  0.8278  1.0
]