data_[Li4Cu4F14]
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 [5.9510]
_cell_length_b [9.3607]
_cell_length_c [5.0475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.7113]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Cu2F7]
_chemical_formula_sum '[Li4 Cu4 F14]'
_cell_volume [279.2486]
_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  0.0000  0.3000  0.5000  1.0
  Cu  Cu1  4  0.2431  0.5000  0.1735  1.0
  F  F2  8  0.2338  0.1896  0.7280  1.0
  F  F3  4  0.0535  0.5000  0.7463  1.0
  F  F4  2  0.0000  0.0000  0.0000  1.0
]