data_[Li4Ca2Ni2F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Ni  1.9100  1.3500  0.7400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.7576]
_cell_length_b [11.3485]
_cell_length_c [4.8750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.0496]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li2CaNiF8]
_chemical_formula_sum '[Li4 Ca2 Ni2 F16]'
_cell_volume [290.3370]
_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  0.5025  0.5000  1.0
  Li  Li1  2  0.0000  0.6863  0.0000  1.0
  Ca  Ca2  2  0.0000  0.9975  0.5000  1.0
  Ni  Ni3  2  0.0000  0.3042  0.0000  1.0
  F  F4  4  0.1593  0.1926  0.9414  1.0
  F  F5  4  0.1741  0.5828  0.3928  1.0
  F  F6  4  0.1782  0.4118  0.9468  1.0
  F  F7  4  0.2378  0.8190  0.5311  1.0
]