data_[Li2Cd4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cd  1.6900  1.5500  1.0900
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.3951]
_cell_length_b [5.5856]
_cell_length_c [9.3138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.1776]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiCd2F6]
_chemical_formula_sum '[Li2 Cd4 F12]'
_cell_volume [245.0565]
_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  0.5000  0.0000  0.5000  1.0
  Cd  Cd1  4  0.1801  0.0990  0.7125  1.0
  F  F2  4  0.1476  0.1708  0.4456  1.0
  F  F3  4  0.2197  0.6960  0.3909  1.0
  F  F4  4  0.4530  0.0868  0.2842  1.0
]