data_[Li6Cr2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cr  1.6600  1.4000  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [4.8353]
_cell_length_b [4.8368]
_cell_length_c [10.0976]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.4478]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Li3CrF6]
_chemical_formula_sum '[Li6 Cr2 F12]'
_cell_volume [207.6410]
_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  0.3488  0.2587  0.3493  1.0
  Li  Li1  2  0.6486  0.2468  0.6506  1.0
  Li  Li2  2  0.7520  0.2530  0.2516  1.0
  Cr  Cr3  2  0.0005  0.2481  0.0001  1.0
  F  F4  2  0.0215  0.4482  0.8377  1.0
  F  F5  2  0.2835  0.0370  0.4996  1.0
  F  F6  2  0.3638  0.4321  0.1614  1.0
  F  F7  2  0.6567  0.0466  0.8387  1.0
  F  F8  2  0.7172  0.4658  0.5000  1.0
  F  F9  2  0.9601  0.0694  0.1624  1.0
]