data_[Sr3Li6Ni3F18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  Ni  1.9100  1.3500  0.7400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.3701]
_cell_length_b [5.3701]
_cell_length_c [14.5555]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [SrLi2NiF6]
_chemical_formula_sum '[Sr3 Li6 Ni3 F18]'
_cell_volume [363.5210]
_cell_formula_units_Z [3]
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
[
  Sr  Sr0  3  0.0000  0.0000  0.2019  1.0
  Li  Li1  3  0.0000  0.0000  0.4705  1.0
  Li  Li2  3  0.0000  0.0000  0.9843  1.0
  Ni  Ni3  3  0.0000  0.0000  0.6802  1.0
  F  F4  9  0.0065  0.3352  0.0799  1.0
  F  F5  9  0.0170  0.5900  0.2549  1.0
]