data_[Li2Sc2Ni2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sc  1.3600  1.6000  0.8850
  Ni  1.9100  1.3500  0.7400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [4.7749]
_cell_length_b [4.7749]
_cell_length_c [9.3715]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [LiScNiF6]
_chemical_formula_sum '[Li2 Sc2 Ni2 F12]'
_cell_volume [213.6696]
_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  0.0000  0.0000  0.0020  1.0
  Sc  Sc1  2  0.0000  0.0000  0.6675  1.0
  Ni  Ni2  2  0.0000  0.0000  0.3322  1.0
  F  F3  4  0.1949  0.8051  0.4999  1.0
  F  F4  4  0.1978  0.8022  0.1696  1.0
  F  F5  4  0.2001  0.7999  0.8296  1.0
]