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 [Cm]
_cell_length_a [11.9185]
_cell_length_b [3.1094]
_cell_length_c [8.8359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.5869]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Li2Cu2F7]
_chemical_formula_sum '[Li4 Cu4 F14]'
_cell_volume [278.9381]
_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  2  0.1899  0.5000  0.6523  1.0
  Li  Li1  2  0.2503  0.0000  0.0107  1.0
  Cu  Cu2  2  0.0424  0.0000  0.3064  1.0
  Cu  Cu3  2  0.4732  0.0000  0.8877  1.0
  F  F4  2  0.0202  0.0000  0.0710  1.0
  F  F5  2  0.0746  0.0000  0.5392  1.0
  F  F6  2  0.1515  0.5000  0.9486  1.0
  F  F7  2  0.1646  0.5000  0.3836  1.0
  F  F8  2  0.2961  0.0000  0.8330  1.0
  F  F9  2  0.4137  0.0000  0.2239  1.0
  F  F10  2  0.4274  0.5000  0.7321  1.0
]