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 [P2_1/c]
_cell_length_a [3.3001]
_cell_length_b [9.8198]
_cell_length_c [7.6940]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6352]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiCuF3]
_chemical_formula_sum '[Li4 Cu4 F12]'
_cell_volume [238.8986]
_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  4  0.0045  0.1882  0.4821  1.0
  Cu  Cu1  4  0.3107  0.0043  0.1878  1.0
  F  F2  4  0.1408  0.6191  0.4760  1.0
  F  F3  4  0.1790  0.0915  0.7034  1.0
  F  F4  4  0.4323  0.1405  0.3692  1.0
]